N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine

C16H18ClNS — CID 79442652

IUPACN-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine
SMILESClc1cccc(C(CNC2CC2)Cc2ccsc2)c1
InChIInChI=1S/C16H18ClNS/c17-15-3-1-2-13(9-15)14(10-18-16-4-5-16)8-12-6-7-19-11-12/h1-3,6-7,9,11,14,16,18H,4-5,8,10H2
InChIKeyOFONXCHLNMQOGY-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.48
Rot. Bonds6

About N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine

N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine (PubChem CID 79442652) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine
PubChem CID79442652
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC NameN-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine
SMILESClc1cccc(C(CNC2CC2)Cc2ccsc2)c1
InChIInChI=1S/C16H18ClNS/c17-15-3-1-2-13(9-15)14(10-18-16-4-5-16)8-12-6-7-19-11-12/h1-3,6-7,9,11,14,16,18H,4-5,8,10H2
InChIKeyOFONXCHLNMQOGY-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79443388
N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine
CID 79441057
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)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine
CID 103138876
N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine
CID 83138742
N-[2-(3-chlorophenyl)-4-(oxolan-2-yl)butyl]cyclopropanamine
CID 79443247
2-methyl-N-[2-(3-methylphenyl)-3-thiophen-3-ylpropyl]propan-2-amine
CID 79416933
1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 55095443
(R)-(3-chlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171219113

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine?
The IUPAC name of N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine (CID 79442652) is N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine is Clc1cccc(C(CNC2CC2)Cc2ccsc2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine?
The InChIKey is OFONXCHLNMQOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c17-15-3-1-2-13(9-15)14(10-18-16-4-5-16)8-12-6-7-19-11-12/h1-3,6-7,9,11,14,16,18H,4-5,8,10H2.
What are the key properties of N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine?
N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine has a molecular weight of 291.85 g/mol, XLogP of 4.48, 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-thiophen-3-ylpropyl]cyclopropanamine is sourced from PubChem (CID 79442652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).