[[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol

C24H26N2O — CID 91045575

IUPAC[[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol
SMILESC[C@@H](C=NC(O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2O/c1-20(17-25-24(27)23-15-9-4-10-16-23)26(18-21-11-5-2-6-12-21)19-22-13-7-3-8-14-22/h2-17,20,24,27H,18-19H2,1H3/t20-,24?/m0/s1
InChIKeyWGSILQOICHDZEM-QHELBMECSA-N
MW358.49 g/mol
LogP4.84
Rot. Bonds8

About [[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol

[[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol (PubChem CID 91045575) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is [[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol.

Molecular Properties

Compound Name[[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol
PubChem CID91045575
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name[[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol
SMILESC[C@@H](C=NC(O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2O/c1-20(17-25-24(27)23-15-9-4-10-16-23)26(18-21-11-5-2-6-12-21)19-22-13-7-3-8-14-22/h2-17,20,24,27H,18-19H2,1H3/t20-,24?/m0/s1
InChIKeyWGSILQOICHDZEM-QHELBMECSA-N
XLogP4.84
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
(2S)-N,N-dibenzyl-1-benzylimino-4-methylpentan-2-amine
CID 14791980
chloromethylbenzene;1-(dibenzylamino)ethanol
CID 66601956
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
(2S)-3-benzhydrylimino-N,N-dibenzyl-4-chlorobutan-2-amine
CID 10790395
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
(2S)-N-benzyl-2-(dibenzylamino)propan-1-imine oxide
CID 11142895
(1R,2S)-1-(dibenzylamino)-3-methyl-1-phenylbutane-2,3-diol
CID 50901274
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949
(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 118253863
methyl (2S)-2-[(R)-(dibenzylamino)-phenylmethyl]pent-4-enoate
CID 139191551

Frequently Asked Questions

What is the IUPAC name of [[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol?
The IUPAC name of [[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol (CID 91045575) is [[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol.
What is the SMILES notation for [[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol?
The canonical SMILES for [[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol is C[C@@H](C=NC(O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol?
The InChIKey is WGSILQOICHDZEM-QHELBMECSA-N. The full InChI is InChI=1S/C24H26N2O/c1-20(17-25-24(27)23-15-9-4-10-16-23)26(18-21-11-5-2-6-12-21)19-22-13-7-3-8-14-22/h2-17,20,24,27H,18-19H2,1H3/t20-,24?/m0/s1.
What are the key properties of [[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol?
[[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol has a molecular weight of 358.49 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-2-(dibenzylamino)propylidene]amino]-phenylmethanol is sourced from PubChem (CID 91045575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).