1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine

C14H18ClN — CID 84699183

IUPAC1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine
SMILESNC1(Cc2cccc(Cl)c2)CC1C1CCC1
InChIInChI=1S/C14H18ClN/c15-12-6-1-3-10(7-12)8-14(16)9-13(14)11-4-2-5-11/h1,3,6-7,11,13H,2,4-5,8-9,16H2
InChIKeyQSGPPCMEZPUOJF-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.40
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine

1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine (PubChem CID 84699183) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine
PubChem CID84699183
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine
SMILESNC1(Cc2cccc(Cl)c2)CC1C1CCC1
InChIInChI=1S/C14H18ClN/c15-12-6-1-3-10(7-12)8-14(16)9-13(14)11-4-2-5-11/h1,3,6-7,11,13H,2,4-5,8-9,16H2
InChIKeyQSGPPCMEZPUOJF-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine (CID 84699183) is 1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine is NC1(Cc2cccc(Cl)c2)CC1C1CCC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine?
The InChIKey is QSGPPCMEZPUOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c15-12-6-1-3-10(7-12)8-14(16)9-13(14)11-4-2-5-11/h1,3,6-7,11,13H,2,4-5,8-9,16H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine?
1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine has a molecular weight of 235.76 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine is sourced from PubChem (CID 84699183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).