3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol

C15H15ClN2O — CID 143577606

IUPAC3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol
SMILES[H]/N=C(\c1ccc(Cl)cc1)C(O)(CN)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c16-13-8-6-11(7-9-13)14(18)15(19,10-17)12-4-2-1-3-5-12/h1-9,18-19H,10,17H2/b18-14+
InChIKeyVCBSYUAPIFHLDR-NBVRZTHBSA-N
MW274.75 g/mol
LogP2.55
Rot. Bonds4

About 3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol

3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol (PubChem CID 143577606) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol.

Molecular Properties

Compound Name3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol
PubChem CID143577606
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol
SMILES[H]/N=C(\c1ccc(Cl)cc1)C(O)(CN)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c16-13-8-6-11(7-9-13)14(18)15(19,10-17)12-4-2-1-3-5-12/h1-9,18-19H,10,17H2/b18-14+
InChIKeyVCBSYUAPIFHLDR-NBVRZTHBSA-N
XLogP2.55
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-3-imino-2-phenylpropan-1-amine
CID 123849493
bis(4-chlorophenyl)-phenylmethanamine
CID 134589032
ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate
CID 85373846
(E)-3-(4-chlorophenyl)-1,1,2,3-tetraphenylprop-2-en-1-ol
CID 6380826
2-amino-1-(4-chlorophenyl)-1-phenylpropan-1-ol;hydrochloride
CID 24834780
2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene
CID 174473009
3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 47002646
N'-amino-4-(4-chloroanilino)-2-imino-4-phenylpentanimidamide
CID 174037800
2-amino-3-(4-chlorophenyl)-3-oxo-2-phenylpropanoic acid
CID 69400061
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
(1R)-1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
CID 71352218
1-(4-chlorophenyl)-2-phenylbutan-1-imine
CID 143568831

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol?
The IUPAC name of 3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol (CID 143577606) is 3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol.
What is the SMILES notation for 3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol?
The canonical SMILES for 3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol is [H]/N=C(\c1ccc(Cl)cc1)C(O)(CN)c1ccccc1.
What is the InChIKey of 3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol?
The InChIKey is VCBSYUAPIFHLDR-NBVRZTHBSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-8-6-11(7-9-13)14(18)15(19,10-17)12-4-2-1-3-5-12/h1-9,18-19H,10,17H2/b18-14+.
What are the key properties of 3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol?
3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol has a molecular weight of 274.75 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chlorophenyl)-1-imino-2-phenylpropan-2-ol is sourced from PubChem (CID 143577606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).