2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane

C122H142F4N6O2 — CID 159305892

IUPAC2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane
SMILESC.C.CC(F)CN(Cc1ccccc1)Cc1ccccc1.C[C@@H](CF)N(Cc1ccccc1)Cc1ccccc1.C[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1.FC(Cc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1.FCC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.OCC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/2C23H24FN.C23H25NO.2C17H20FN.C17H21NO.2CH4/c24-17-23(16-20-10-4-1-5-11-20)25(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22;24-23(16-20-10-4-1-5-11-20)19-25(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22;25-19-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22;1-15(18)12-19(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17;1-15(12-18)19(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17;1-15(14-19)18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17;;/h2*1-15,23H,16-19H2;1-15,23,25H,16-19H2;2*2-11,15H,12-14H2,1H3;2-11,15,19H,12-14H2,1H3;2*1H4/t;;;;2*15-;;/m....00../s1
InChIKeyLBXJTGMZBYEFRM-WTGJVGEGSA-N
MW1800.51 g/mol
LogP27.27
Rot. Bonds42

About 2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane

2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane (PubChem CID 159305892) has the molecular formula C122H142F4N6O2 and a molecular weight of 1800.51 g/mol. Its IUPAC name is 2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane.

Molecular Properties

Compound Name2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane
PubChem CID159305892
Molecular FormulaC122H142F4N6O2
Molecular Weight1800.51 g/mol
Exact Mass1799.11
IUPAC Name2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane
SMILESC.C.CC(F)CN(Cc1ccccc1)Cc1ccccc1.C[C@@H](CF)N(Cc1ccccc1)Cc1ccccc1.C[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1.FC(Cc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1.FCC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.OCC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/2C23H24FN.C23H25NO.2C17H20FN.C17H21NO.2CH4/c24-17-23(16-20-10-4-1-5-11-20)25(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22;24-23(16-20-10-4-1-5-11-20)19-25(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22;25-19-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22;1-15(18)12-19(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17;1-15(12-18)19(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17;1-15(14-19)18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17;;/h2*1-15,23H,16-19H2;1-15,23,25H,16-19H2;2*2-11,15H,12-14H2,1H3;2-11,15,19H,12-14H2,1H3;2*1H4/t;;;;2*15-;;/m....00../s1
InChIKeyLBXJTGMZBYEFRM-WTGJVGEGSA-N
XLogP27.27
TPSA59.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds42
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001800.51
LogP ≤ 527.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane with MolForge

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Related Compounds

(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine
CID 122216645
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
(2S)-2-[(dibenzylamino)methyl]butan-1-ol
CID 102574363
(2R)-2-(dipropylamino)-3-phenylpropan-1-ol
CID 107861512
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol
CID 66639453
(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-3-phenylpropan-1-ol
CID 12965017
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
2-[benzyl-[(2R)-1-hydroxypropan-2-yl]amino]acetonitrile
CID 71988819
(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane?
The IUPAC name of 2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane (CID 159305892) is 2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane.
What is the SMILES notation for 2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane?
The canonical SMILES for 2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane is C.C.CC(F)CN(Cc1ccccc1)Cc1ccccc1.C[C@@H](CF)N(Cc1ccccc1)Cc1ccccc1.C[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1.FC(Cc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1.FCC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.OCC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane?
The InChIKey is LBXJTGMZBYEFRM-WTGJVGEGSA-N. The full InChI is InChI=1S/2C23H24FN.C23H25NO.2C17H20FN.C17H21NO.2CH4/c24-17-23(16-20-10-4-1-5-11-20)25(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22;24-23(16-20-10-4-1-5-11-20)19-25(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22;25-19-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22;1-15(18)12-19(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17;1-15(12-18)19(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17;1-15(14-19)18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17;;/h2*1-15,23H,16-19H2;1-15,23,25H,16-19H2;2*2-11,15H,12-14H2,1H3;2-11,15,19H,12-14H2,1H3;2*1H4/t;;;;2*15-;;/m....00../s1.
What are the key properties of 2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane?
2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane has a molecular weight of 1800.51 g/mol, XLogP of 27.27, 42 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-3-phenylpropan-1-ol;(2S)-2-(dibenzylamino)propan-1-ol;N,N-dibenzyl-1-fluoro-3-phenylpropan-2-amine;N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine;N,N-dibenzyl-2-fluoropropan-1-amine;(2S)-N,N-dibenzyl-1-fluoropropan-2-amine;methane is sourced from PubChem (CID 159305892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).