4-(3-chlorophenyl)-1-methoxybutan-2-amine

C11H16ClNO — CID 62321131

IUPAC4-(3-chlorophenyl)-1-methoxybutan-2-amine
SMILESCOCC(N)CCc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-14-8-11(13)6-5-9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8,13H2,1H3
InChIKeyAHYXJFFUHSHJQS-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.25
Rot. Bonds5

About 4-(3-chlorophenyl)-1-methoxybutan-2-amine

4-(3-chlorophenyl)-1-methoxybutan-2-amine (PubChem CID 62321131) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-methoxybutan-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-methoxybutan-2-amine
PubChem CID62321131
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-(3-chlorophenyl)-1-methoxybutan-2-amine
SMILESCOCC(N)CCc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-14-8-11(13)6-5-9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8,13H2,1H3
InChIKeyAHYXJFFUHSHJQS-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-chlorophenyl)-1-methoxybutan-2-amine 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

4-(4-chlorophenyl)-1-methoxybutan-2-amine
CID 62321130
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64666080
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730
(3-chlorophenyl)methyl 2-amino-4-methoxybutanoate
CID 65126822
N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine
CID 119139076
1-chloro-3-(3-methylpentyl)benzene
CID 57308391
diethyl 2-[2-(3-chlorophenyl)ethyl]propanedioate
CID 14711442
N-[3-(3-chlorophenyl)propoxy]methanamine
CID 117126890
1-chloro-3-(3-phenylbutyl)benzene
CID 173298175
methyl 4-amino-5-(3-chlorophenyl)pentanoate
CID 62962583
N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65050293

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-methoxybutan-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-1-methoxybutan-2-amine (CID 62321131) is 4-(3-chlorophenyl)-1-methoxybutan-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-1-methoxybutan-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-1-methoxybutan-2-amine is COCC(N)CCc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1-methoxybutan-2-amine?
The InChIKey is AHYXJFFUHSHJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-14-8-11(13)6-5-9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8,13H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-methoxybutan-2-amine?
4-(3-chlorophenyl)-1-methoxybutan-2-amine has a molecular weight of 213.71 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-methoxybutan-2-amine is sourced from PubChem (CID 62321131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).