N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine

C18H19Cl2N — CID 79433698

IUPACN-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
SMILESClc1cccc(CC(CNC2CC2)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H19Cl2N/c19-16-5-1-3-13(10-16)9-15(12-21-18-7-8-18)14-4-2-6-17(20)11-14/h1-6,10-11,15,18,21H,7-9,12H2
InChIKeyLEQIUWQZPFUMEA-UHFFFAOYSA-N
MW320.26 g/mol
LogP5.07
Rot. Bonds6

About N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine

N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine (PubChem CID 79433698) has the molecular formula C18H19Cl2N and a molecular weight of 320.26 g/mol. Its IUPAC name is N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
PubChem CID79433698
Molecular FormulaC18H19Cl2N
Molecular Weight320.26 g/mol
Exact Mass319.09
IUPAC NameN-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
SMILESClc1cccc(CC(CNC2CC2)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H19Cl2N/c19-16-5-1-3-13(10-16)9-15(12-21-18-7-8-18)14-4-2-6-17(20)11-14/h1-6,10-11,15,18,21H,7-9,12H2
InChIKeyLEQIUWQZPFUMEA-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine
CID 79442652
N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine
CID 79433687
N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169064
N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053433
N-[2-[(3-chlorophenyl)methyl]-3-(furan-3-yl)propyl]cyclopropanamine
CID 83183192
N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
N-[2-[(3-chlorophenyl)methyl]-3-ethoxypropyl]cyclopropanamine
CID 113361839
N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
CID 79443247
N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63521924
N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine
CID 79431040
N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine
CID 79430769

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine?
The IUPAC name of N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine (CID 79433698) is N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine is Clc1cccc(CC(CNC2CC2)c2cccc(Cl)c2)c1.
What is the InChIKey of N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine?
The InChIKey is LEQIUWQZPFUMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N/c19-16-5-1-3-13(10-16)9-15(12-21-18-7-8-18)14-4-2-6-17(20)11-14/h1-6,10-11,15,18,21H,7-9,12H2.
What are the key properties of N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine?
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine has a molecular weight of 320.26 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine is sourced from PubChem (CID 79433698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).