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

C12H18ClNO — CID 43561904

IUPAC1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(OC)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-4-5-12(14-2)10-7-6-9(15-3)8-11(10)13/h6-8,12,14H,4-5H2,1-3H3
InChIKeyUXZIAGXOAKJEOX-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.41
Rot. Bonds5

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

1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine (PubChem CID 43561904) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
PubChem CID43561904
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc(OC)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-4-5-12(14-2)10-7-6-9(15-3)8-11(10)13/h6-8,12,14H,4-5H2,1-3H3
InChIKeyUXZIAGXOAKJEOX-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine
CID 114752463
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-propylpentan-1-amine
CID 82983938
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43562095
ethyl 2-(2-chloro-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961334
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163
2-(3-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylethanamine
CID 63504239
2-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 116964713
1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43561996
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine (CID 43561904) is 1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine is CCCC(NC)c1ccc(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine?
The InChIKey is UXZIAGXOAKJEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-4-5-12(14-2)10-7-6-9(15-3)8-11(10)13/h6-8,12,14H,4-5H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine?
1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 43561904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).