1-(2-chlorophenyl)-N-methylbutan-1-amine

C11H16ClN — CID 61030154

IUPAC1-(2-chlorophenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccccc1Cl
InChIInChI=1S/C11H16ClN/c1-3-6-11(13-2)9-7-4-5-8-10(9)12/h4-5,7-8,11,13H,3,6H2,1-2H3
InChIKeyGSCHZIFLGZHIIN-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.40
Rot. Bonds4

About 1-(2-chlorophenyl)-N-methylbutan-1-amine

1-(2-chlorophenyl)-N-methylbutan-1-amine (PubChem CID 61030154) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methylbutan-1-amine
PubChem CID61030154
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-(2-chlorophenyl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccccc1Cl
InChIInChI=1S/C11H16ClN/c1-3-6-11(13-2)9-7-4-5-8-10(9)12/h4-5,7-8,11,13H,3,6H2,1-2H3
InChIKeyGSCHZIFLGZHIIN-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)butylhydrazine
CID 105202004
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1-(2-chlorophenyl)-N,N'-dimethyl-N'-pentylpropane-1,3-diamine
CID 55099013
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
CID 114982147
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
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1-(2-chlorophenyl)-N'-ethyl-N-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62645335
1-(2-chlorophenyl)-N-methylbut-3-yn-1-amine
CID 62233713
1-(2-chlorophenyl)-N'-cyclopropyl-N'-ethyl-N-methylpropane-1,3-diamine
CID 62644980
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CID 18417584
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
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1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43561904

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methylbutan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-methylbutan-1-amine (CID 61030154) is 1-(2-chlorophenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methylbutan-1-amine is CCCC(NC)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methylbutan-1-amine?
The InChIKey is GSCHZIFLGZHIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-3-6-11(13-2)9-7-4-5-8-10(9)12/h4-5,7-8,11,13H,3,6H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-methylbutan-1-amine?
1-(2-chlorophenyl)-N-methylbutan-1-amine has a molecular weight of 197.71 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 61030154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).