(2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol

C24H24N2O — CID 59468227

IUPAC(2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol
SMILES[C-]#[N+]c1cccc(C[C@H](CO)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C24H24N2O/c1-25-23-14-8-13-22(15-23)16-24(19-27)26(17-20-9-4-2-5-10-20)18-21-11-6-3-7-12-21/h2-15,24,27H,16-19H2/t24-/m1/s1
InChIKeyAONREPVIIPDWOO-XMMPIXPASA-N
MW356.47 g/mol
LogP4.84
Rot. Bonds8

About (2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol

(2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol (PubChem CID 59468227) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol
PubChem CID59468227
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol
SMILES[C-]#[N+]c1cccc(C[C@H](CO)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C24H24N2O/c1-25-23-14-8-13-22(15-23)16-24(19-27)26(17-20-9-4-2-5-10-20)18-21-11-6-3-7-12-21/h2-15,24,27H,16-19H2/t24-/m1/s1
InChIKeyAONREPVIIPDWOO-XMMPIXPASA-N
XLogP4.84
TPSA27.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol
CID 101260450
(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol
CID 66639453
3-[benzyl-[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]propanenitrile
CID 170222607
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-3-phenylpropan-1-ol
CID 12965017
(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 101031219
(2R)-2-(dipropylamino)-3-phenylpropan-1-ol
CID 107861512
(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
CID 162403052
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
(E)-3-benzamido-2-[(3-isocyanophenyl)methyl]-5-phenylpent-4-enoic acid
CID 20707966

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol?
The IUPAC name of (2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol (CID 59468227) is (2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol?
The canonical SMILES for (2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol is [C-]#[N+]c1cccc(C[C@H](CO)N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of (2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol?
The InChIKey is AONREPVIIPDWOO-XMMPIXPASA-N. The full InChI is InChI=1S/C24H24N2O/c1-25-23-14-8-13-22(15-23)16-24(19-27)26(17-20-9-4-2-5-10-20)18-21-11-6-3-7-12-21/h2-15,24,27H,16-19H2/t24-/m1/s1.
What are the key properties of (2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol?
(2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol has a molecular weight of 356.47 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dibenzylamino)-3-(3-isocyanophenyl)propan-1-ol is sourced from PubChem (CID 59468227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).