(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol

C23H25NO — CID 11484349

IUPAC(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H25NO/c1-19(23(25)22-15-9-4-10-16-22)24(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,23,25H,17-18H2,1H3/t19-,23+/m0/s1
InChIKeyBOZCOAZLVQXGKP-WMZHIEFXSA-N
MW331.46 g/mol
LogP4.81
Rot. Bonds7

About (1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol

(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol (PubChem CID 11484349) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is (1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
PubChem CID11484349
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H25NO/c1-19(23(25)22-15-9-4-10-16-22)24(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,23,25H,17-18H2,1H3/t19-,23+/m0/s1
InChIKeyBOZCOAZLVQXGKP-WMZHIEFXSA-N
XLogP4.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019
(3S)-3-(dibenzylamino)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 11179393
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949
(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 118253863
(1S,2R)-2-[bis(prop-2-enyl)amino]-1-phenylpropan-1-ol
CID 11064277
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol;hydrochloride
CID 169438778
2-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 54856639
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
benzyl N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]carbamate
CID 10883306

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol (CID 11484349) is (1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol is C[C@@H]([C@@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol?
The InChIKey is BOZCOAZLVQXGKP-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H25NO/c1-19(23(25)22-15-9-4-10-16-22)24(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16,19,23,25H,17-18H2,1H3/t19-,23+/m0/s1.
What are the key properties of (1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol?
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol has a molecular weight of 331.46 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 11484349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).