3-[(3-chlorophenyl)methyl]cyclobutan-1-amine

C11H14ClN — CID 142422934

IUPAC3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
SMILESNC1CC(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C11H14ClN/c12-10-3-1-2-8(5-10)4-9-6-11(13)7-9/h1-3,5,9,11H,4,6-7,13H2
InChIKeyJSEQMSGEXUKULG-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.62
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]cyclobutan-1-amine

3-[(3-chlorophenyl)methyl]cyclobutan-1-amine (PubChem CID 142422934) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
PubChem CID142422934
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
SMILESNC1CC(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C11H14ClN/c12-10-3-1-2-8(5-10)4-9-6-11(13)7-9/h1-3,5,9,11H,4,6-7,13H2
InChIKeyJSEQMSGEXUKULG-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(3-chlorophenyl)methyl]piperidin-4-amine
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2-butyl-4-[(3-chlorophenyl)methyl]oxolane
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3-[(4-fluoro-3-methylphenyl)methyl]cyclobutan-1-amine
CID 116926413
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidin-1-ium
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1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461867
1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea
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[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]cyclobutan-1-amine (CID 142422934) is 3-[(3-chlorophenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]cyclobutan-1-amine is NC1CC(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]cyclobutan-1-amine?
The InChIKey is JSEQMSGEXUKULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c12-10-3-1-2-8(5-10)4-9-6-11(13)7-9/h1-3,5,9,11H,4,6-7,13H2.
What are the key properties of 3-[(3-chlorophenyl)methyl]cyclobutan-1-amine?
3-[(3-chlorophenyl)methyl]cyclobutan-1-amine has a molecular weight of 195.69 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 142422934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).