(2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol

C16H16ClNO — CID 23649944

IUPAC(2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c17-15-8-6-14(7-9-15)11-18-16(12-19)10-13-4-2-1-3-5-13/h1-9,11,16,19H,10,12H2/b18-11+/t16-/m0/s1
InChIKeyBETZXKZTYZHYME-GYKGCMEESA-N
MW273.76 g/mol
LogP3.36
Rot. Bonds5

About (2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol

(2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol (PubChem CID 23649944) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol
PubChem CID23649944
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol
SMILESOC[C@H](Cc1ccccc1)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c17-15-8-6-14(7-9-15)11-18-16(12-19)10-13-4-2-1-3-5-13/h1-9,11,16,19H,10,12H2/b18-11+/t16-/m0/s1
InChIKeyBETZXKZTYZHYME-GYKGCMEESA-N
XLogP3.36
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((p-Fluorobenzylidene)amino)-3-phenyl-1-propanol
CID 208995
2-((p-Methylbenzylidene)amino)-3-phenyl-1-propanol
CID 208997
2-{[(4-Chlorophenyl)methylidene]amino}-1-phenylethan1-ol
CID 2841062
(2S)-2-[(4-fluorophenyl)methylideneamino]-3-phenylpropan-1-ol
CID 92203051
(2R)-2-[(4-fluorophenyl)methylideneamino]-3-phenylpropan-1-ol
CID 92203052
2-[(4-Chlorobenzylidene)amino]-1-butanol
CID 2847005
1,3-Bis[(4-chlorophenyl)methylideneamino]propan-2-ol
CID 5325972
(2S)-2-[(3,5-dichlorophenyl)methylideneamino]-2-phenylethanol
CID 11197151
1-(4-chlorophenyl)-N-[(2R)-1-phenylpropan-2-yl]methanimine
CID 57587508
(S)-N-(4-chlorobenzylidene)-1-phenylpropan-2-amine
CID 59536354
(2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropanoic acid
CID 67507287
N-(4-chlorobenzylidene)-1-phenylpropan-2-amine
CID 68498314

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol (CID 23649944) is (2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol is OC[C@H](Cc1ccccc1)/N=C/c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol?
The InChIKey is BETZXKZTYZHYME-GYKGCMEESA-N. The full InChI is InChI=1S/C16H16ClNO/c17-15-8-6-14(7-9-15)11-18-16(12-19)10-13-4-2-1-3-5-13/h1-9,11,16,19H,10,12H2/b18-11+/t16-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol?
(2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol has a molecular weight of 273.76 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)methylideneamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 23649944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).