1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol

C13H18ClNO — CID 111478453

IUPAC1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol
SMILESCC(NCC1CC1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-9(15-8-10-2-3-10)13(16)11-4-6-12(14)7-5-11/h4-7,9-10,13,15-16H,2-3,8H2,1H3
InChIKeyBWSFUCGEJJNSJZ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.76
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol

1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol (PubChem CID 111478453) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol
PubChem CID111478453
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol
SMILESCC(NCC1CC1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO/c1-9(15-8-10-2-3-10)13(16)11-4-6-12(14)7-5-11/h4-7,9-10,13,15-16H,2-3,8H2,1H3
InChIKeyBWSFUCGEJJNSJZ-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-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

(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
CID 63451555
2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol
CID 82312960
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 89490500
(1S,2S)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 89490501
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-2-methylpropan-1-amine
CID 43234095
1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine
CID 63451823
1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol
CID 82312968
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
(2S)-2-(4-chlorophenyl)-3-(cyclopropylmethylamino)propanamide
CID 67518777

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol (CID 111478453) is 1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol is CC(NCC1CC1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol?
The InChIKey is BWSFUCGEJJNSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(15-8-10-2-3-10)13(16)11-4-6-12(14)7-5-11/h4-7,9-10,13,15-16H,2-3,8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol?
1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol has a molecular weight of 239.75 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol is sourced from PubChem (CID 111478453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).