(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine

C23H24FN — CID 122216645

IUPAC(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine
SMILESF[C@H](Cc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24FN/c24-23(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/h1-15,23H,16-19H2/t23-/m1/s1
InChIKeyQWGAYOMJABLCDE-HSZRJFAPSA-N
MW333.45 g/mol
LogP5.27
Rot. Bonds8

About (2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine

(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine (PubChem CID 122216645) has the molecular formula C23H24FN and a molecular weight of 333.45 g/mol. Its IUPAC name is (2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine
PubChem CID122216645
Molecular FormulaC23H24FN
Molecular Weight333.45 g/mol
Exact Mass333.19
IUPAC Name(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine
SMILESF[C@H](Cc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24FN/c24-23(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/h1-15,23H,16-19H2/t23-/m1/s1
InChIKeyQWGAYOMJABLCDE-HSZRJFAPSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-fluoro-3-phenylpropan-1-amine
CID 69274217
(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
CID 1488046
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
(2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine
CID 92858642
2-(dibenzylamino)-1-phenylethanethiol
CID 134972021
1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol
CID 18985341
N,N-dibenzyl-3-fluorobutan-1-amine
CID 146026294
(1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine
CID 30741988
2-[3-(dibenzylamino)-2-fluoropropoxy]isoindole-1,3-dione
CID 138727419
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N,N-bis[(4-fluorophenyl)methyl]-1-phenylmethanamine
CID 15526238
(2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine
CID 177481068

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine?
The IUPAC name of (2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine (CID 122216645) is (2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine.
What is the SMILES notation for (2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine?
The canonical SMILES for (2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine is F[C@H](Cc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine?
The InChIKey is QWGAYOMJABLCDE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24FN/c24-23(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/h1-15,23H,16-19H2/t23-/m1/s1.
What are the key properties of (2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine?
(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine has a molecular weight of 333.45 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine is sourced from PubChem (CID 122216645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).