1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine

C12H18ClNO — CID 62602017

IUPAC1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
SMILESCOc1ccc(Cl)cc1CC(N)C(C)C
InChIInChI=1S/C12H18ClNO/c1-8(2)11(14)7-9-6-10(13)4-5-12(9)15-3/h4-6,8,11H,7,14H2,1-3H3
InChIKeyWKJBWYJRDAEIPO-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.87
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine

1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine (PubChem CID 62602017) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
PubChem CID62602017
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
SMILESCOc1ccc(Cl)cc1CC(N)C(C)C
InChIInChI=1S/C12H18ClNO/c1-8(2)11(14)7-9-6-10(13)4-5-12(9)15-3/h4-6,8,11H,7,14H2,1-3H3
InChIKeyWKJBWYJRDAEIPO-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-ethoxy-4-methylpentan-2-amine
CID 116720793
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
1-(5-chloro-2-methoxyphenyl)-3-methyl-4-methylsulfanylbutan-2-amine
CID 114221939
1-(5-chloro-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131585
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115845008
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
4-chloro-2-(4-chloro-2-methylpentyl)-1-methoxybenzene
CID 64719241
1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62606334
1-(5-chloro-2-methoxyphenyl)-3,4,4-trimethylpentan-2-ol
CID 114270657
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115845037
3-amino-4-(5-chloro-2-methoxyphenyl)butanoic acid
CID 82478281

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine (CID 62602017) is 1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine is COc1ccc(Cl)cc1CC(N)C(C)C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine?
The InChIKey is WKJBWYJRDAEIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-8(2)11(14)7-9-6-10(13)4-5-12(9)15-3/h4-6,8,11H,7,14H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine?
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine has a molecular weight of 227.73 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 62602017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).