1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine

C11H14ClN — CID 117285887

IUPAC1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cccc(CC2(N)CC2)c1Cl
InChIInChI=1S/C11H14ClN/c1-8-3-2-4-9(10(8)12)7-11(13)5-6-11/h2-4H,5-7,13H2,1H3
InChIKeyHOYSRUKHOYVVDK-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.68
Rot. Bonds2

About 1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine

1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117285887) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine
PubChem CID117285887
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cccc(CC2(N)CC2)c1Cl
InChIInChI=1S/C11H14ClN/c1-8-3-2-4-9(10(8)12)7-11(13)5-6-11/h2-4H,5-7,13H2,1H3
InChIKeyHOYSRUKHOYVVDK-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine (CID 117285887) is 1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine is Cc1cccc(CC2(N)CC2)c1Cl.
What is the InChIKey of 1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is HOYSRUKHOYVVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-3-2-4-9(10(8)12)7-11(13)5-6-11/h2-4H,5-7,13H2,1H3.
What are the key properties of 1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine?
1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 195.69 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117285887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).