N-[(4-chlorophenyl)methyl]cyclopropanamine

C10H12ClN — CID 4719970

IUPACN-[(4-chlorophenyl)methyl]cyclopropanamine
SMILESClc1ccc(CNC2CC2)cc1
InChIInChI=1S/C10H12ClN/c11-9-3-1-8(2-4-9)7-12-10-5-6-10/h1-4,10,12H,5-7H2
InChIKeyRVXJABFVIDLTSI-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.59
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]cyclopropanamine

N-[(4-chlorophenyl)methyl]cyclopropanamine (PubChem CID 4719970) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]cyclopropanamine
PubChem CID4719970
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC NameN-[(4-chlorophenyl)methyl]cyclopropanamine
SMILESClc1ccc(CNC2CC2)cc1
InChIInChI=1S/C10H12ClN/c11-9-3-1-8(2-4-9)7-12-10-5-6-10/h1-4,10,12H,5-7H2
InChIKeyRVXJABFVIDLTSI-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]cyclopropanamine (CID 4719970) is N-[(4-chlorophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]cyclopropanamine is Clc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]cyclopropanamine?
The InChIKey is RVXJABFVIDLTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c11-9-3-1-8(2-4-9)7-12-10-5-6-10/h1-4,10,12H,5-7H2.
What are the key properties of N-[(4-chlorophenyl)methyl]cyclopropanamine?
N-[(4-chlorophenyl)methyl]cyclopropanamine has a molecular weight of 181.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 4719970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).