2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine

C12H18ClNO — CID 116964713

IUPAC2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCC(CNC)c1ccc(OC)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-4-9(8-14-2)11-6-5-10(15-3)7-12(11)13/h5-7,9,14H,4,8H2,1-3H3
InChIKeyQPZSFQHGGKYCID-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.06
Rot. Bonds5

About 2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine

2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine (PubChem CID 116964713) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
PubChem CID116964713
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCC(CNC)c1ccc(OC)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-4-9(8-14-2)11-6-5-10(15-3)7-12(11)13/h5-7,9,14H,4,8H2,1-3H3
InChIKeyQPZSFQHGGKYCID-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-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

1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol
CID 83942504
1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43561904
1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine
CID 43561758
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methylbutan-1-amine
CID 116964692
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43561996
2-(4-methoxy-2,3-dimethylphenyl)-N-methylbutan-1-amine
CID 116964709
ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961334
1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine
CID 114752463
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
2-chloro-1-(1-chloro-2-phenylbutyl)-4-methoxybenzene
CID 63434336

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine (CID 116964713) is 2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine is CCC(CNC)c1ccc(OC)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine?
The InChIKey is QPZSFQHGGKYCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-4-9(8-14-2)11-6-5-10(15-3)7-12(11)13/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine?
2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 116964713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).