N-[(3,4-dichlorophenyl)methyl]cyclopropanamine

C10H11Cl2N — CID 4719898

IUPACN-[(3,4-dichlorophenyl)methyl]cyclopropanamine
SMILESClc1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C10H11Cl2N/c11-9-4-1-7(5-10(9)12)6-13-8-2-3-8/h1,4-5,8,13H,2-3,6H2
InChIKeyARVDJBARMJFVNT-UHFFFAOYSA-N
MW216.11 g/mol
LogP3.25
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]cyclopropanamine

N-[(3,4-dichlorophenyl)methyl]cyclopropanamine (PubChem CID 4719898) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]cyclopropanamine
PubChem CID4719898
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC NameN-[(3,4-dichlorophenyl)methyl]cyclopropanamine
SMILESClc1ccc(CNC2CC2)cc1Cl
InChIInChI=1S/C10H11Cl2N/c11-9-4-1-7(5-10(9)12)6-13-8-2-3-8/h1,4-5,8,13H,2-3,6H2
InChIKeyARVDJBARMJFVNT-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]cyclopropanamine (CID 4719898) is N-[(3,4-dichlorophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]cyclopropanamine is Clc1ccc(CNC2CC2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]cyclopropanamine?
The InChIKey is ARVDJBARMJFVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c11-9-4-1-7(5-10(9)12)6-13-8-2-3-8/h1,4-5,8,13H,2-3,6H2.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]cyclopropanamine?
N-[(3,4-dichlorophenyl)methyl]cyclopropanamine has a molecular weight of 216.11 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 4719898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).