1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine

C12H16ClN — CID 82284005

IUPAC1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine
SMILESCC(N)C1(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H16ClN/c1-9(14)12(5-6-12)8-10-3-2-4-11(13)7-10/h2-4,7,9H,5-6,8,14H2,1H3
InChIKeyBLLKFYKZCPDCMX-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.01
Rot. Bonds3

About 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine

1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine (PubChem CID 82284005) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine
PubChem CID82284005
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine
SMILESCC(N)C1(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H16ClN/c1-9(14)12(5-6-12)8-10-3-2-4-11(13)7-10/h2-4,7,9H,5-6,8,14H2,1H3
InChIKeyBLLKFYKZCPDCMX-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65391761
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827634
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
1-[(3-chlorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 82128067
3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538936
3-amino-1-(3-chlorophenyl)butan-2-ol
CID 82397554
1-[(3-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797404
1-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430001
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411
[1-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 65392864
4-amino-1-(3-chlorophenyl)-5-methylhexan-2-one
CID 116606295

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine (CID 82284005) is 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine is CC(N)C1(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine?
The InChIKey is BLLKFYKZCPDCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9(14)12(5-6-12)8-10-3-2-4-11(13)7-10/h2-4,7,9H,5-6,8,14H2,1H3.
What are the key properties of 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine?
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine has a molecular weight of 209.72 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chlorophenyl)methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 82284005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).