2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol

C16H18ClNO — CID 106817793

IUPAC2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(C(O)C(N)Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClNO/c1-11-7-8-13(10-14(11)17)16(19)15(18)9-12-5-3-2-4-6-12/h2-8,10,15-16,19H,9,18H2,1H3
InChIKeyZLGLAXIORTYUHF-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.25
Rot. Bonds4

About 2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol

2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol (PubChem CID 106817793) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
PubChem CID106817793
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(C(O)C(N)Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClNO/c1-11-7-8-13(10-14(11)17)16(19)15(18)9-12-5-3-2-4-6-12/h2-8,10,15-16,19H,9,18H2,1H3
InChIKeyZLGLAXIORTYUHF-UHFFFAOYSA-N
XLogP3.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(3-chloro-4-methylphenyl)-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-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol
CID 55245369
1-(3-chloro-4-methylphenyl)-2-phenylethanamine
CID 55162176
2-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-1-ol
CID 62720949
2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol
CID 55111786
1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol
CID 107562241
1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 114979043
4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol
CID 107690995
2-amino-1-(2-chlorophenyl)-3-phenylpropan-1-ol
CID 62721860
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
1-(3-chloro-4-methylphenyl)-N-ethyl-2-phenylethanamine
CID 55224707
N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol?
The IUPAC name of 2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol (CID 106817793) is 2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol is Cc1ccc(C(O)C(N)Cc2ccccc2)cc1Cl.
What is the InChIKey of 2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol?
The InChIKey is ZLGLAXIORTYUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-7-8-13(10-14(11)17)16(19)15(18)9-12-5-3-2-4-6-12/h2-8,10,15-16,19H,9,18H2,1H3.
What are the key properties of 2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol?
2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol has a molecular weight of 275.78 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 106817793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).