N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine

C17H18Cl2N2 — CID 79433687

IUPACN-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine
SMILESClc1cccc(C(CNC2CC2)Cc2ccncc2Cl)c1
InChIInChI=1S/C17H18Cl2N2/c18-15-3-1-2-12(9-15)14(10-21-16-4-5-16)8-13-6-7-20-11-17(13)19/h1-3,6-7,9,11,14,16,21H,4-5,8,10H2
InChIKeyGIKPRALIBLAFIX-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.47
Rot. Bonds6

About N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine

N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine (PubChem CID 79433687) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine
PubChem CID79433687
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC NameN-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine
SMILESClc1cccc(C(CNC2CC2)Cc2ccncc2Cl)c1
InChIInChI=1S/C17H18Cl2N2/c18-15-3-1-2-12(9-15)14(10-21-16-4-5-16)8-13-6-7-20-11-17(13)19/h1-3,6-7,9,11,14,16,21H,4-5,8,10H2
InChIKeyGIKPRALIBLAFIX-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79433408
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine
CID 79442652
N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053433
N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169064
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)propan-1-ol
CID 79443451
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79430229
N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
3-(3-chloro-4-pyridinyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569757
N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
CID 79443247
N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine
CID 83821384
2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79432117

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine (CID 79433687) is N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine is Clc1cccc(C(CNC2CC2)Cc2ccncc2Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine?
The InChIKey is GIKPRALIBLAFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c18-15-3-1-2-12(9-15)14(10-21-16-4-5-16)8-13-6-7-20-11-17(13)19/h1-3,6-7,9,11,14,16,21H,4-5,8,10H2.
What are the key properties of N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine?
N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine has a molecular weight of 321.25 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine is sourced from PubChem (CID 79433687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).