N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine

C15H19ClN4 — CID 107053433

IUPACN-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
SMILESCn1cc(CC(CNC2CC2)c2cccc(Cl)c2)nn1
InChIInChI=1S/C15H19ClN4/c1-20-10-15(18-19-20)8-12(9-17-14-5-6-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,14,17H,5-6,8-9H2,1H3
InChIKeyCWQHKNLXOBJKCG-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine

N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine (PubChem CID 107053433) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
PubChem CID107053433
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC NameN-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
SMILESCn1cc(CC(CNC2CC2)c2cccc(Cl)c2)nn1
InChIInChI=1S/C15H19ClN4/c1-20-10-15(18-19-20)8-12(9-17-14-5-6-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,14,17H,5-6,8-9H2,1H3
InChIKeyCWQHKNLXOBJKCG-UHFFFAOYSA-N
XLogP2.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053416
2-(3-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053437
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057618
N-[2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)propyl]cyclopropanamine
CID 79433687
N-[2-[(3-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053018
N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169064
N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine
CID 79442652
N-[2-(4-chlorophenyl)-3-(1-methylpyrazol-3-yl)propyl]cyclopropanamine
CID 82871056
N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053062
N-[2-(3-chlorophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
1-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048388

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine (CID 107053433) is N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine is Cn1cc(CC(CNC2CC2)c2cccc(Cl)c2)nn1.
What is the InChIKey of N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine?
The InChIKey is CWQHKNLXOBJKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-20-10-15(18-19-20)8-12(9-17-14-5-6-14)11-3-2-4-13(16)7-11/h2-4,7,10,12,14,17H,5-6,8-9H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine?
N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine has a molecular weight of 290.80 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine is sourced from PubChem (CID 107053433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).