N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine

C18H22ClNS — CID 79436727

IUPACN-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
SMILESCCc1ccc(CC(CNC2CC2)c2ccccc2Cl)s1
InChIInChI=1S/C18H22ClNS/c1-2-15-9-10-16(21-15)11-13(12-20-14-7-8-14)17-5-3-4-6-18(17)19/h3-6,9-10,13-14,20H,2,7-8,11-12H2,1H3
InChIKeyKZYWSEOAMWLREC-UHFFFAOYSA-N
MW319.90 g/mol
LogP5.04
Rot. Bonds7

About N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine

N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine (PubChem CID 79436727) has the molecular formula C18H22ClNS and a molecular weight of 319.90 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
PubChem CID79436727
Molecular FormulaC18H22ClNS
Molecular Weight319.90 g/mol
Exact Mass319.12
IUPAC NameN-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
SMILESCCc1ccc(CC(CNC2CC2)c2ccccc2Cl)s1
InChIInChI=1S/C18H22ClNS/c1-2-15-9-10-16(21-15)11-13(12-20-14-7-8-14)17-5-3-4-6-18(17)19/h3-6,9-10,13-14,20H,2,7-8,11-12H2,1H3
InChIKeyKZYWSEOAMWLREC-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.90
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-bromo-2-(2-chlorophenyl)propyl]-5-ethylthiophene
CID 79454711
N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine
CID 79449507
N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
CID 79436421
N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine
CID 79449139
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79430577
N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
CID 106457197
N-[2-(2-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79448761
N-[3-(5-ethylthiophen-2-yl)-2-methylpropyl]cyclobutanamine
CID 114899203
3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424300
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
CID 79439048
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine
CID 79562897
N-[2-[(2-chlorophenyl)methyl]pentyl]cyclopropanamine
CID 62528331

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine (CID 79436727) is N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine is CCc1ccc(CC(CNC2CC2)c2ccccc2Cl)s1.
What is the InChIKey of N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine?
The InChIKey is KZYWSEOAMWLREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNS/c1-2-15-9-10-16(21-15)11-13(12-20-14-7-8-14)17-5-3-4-6-18(17)19/h3-6,9-10,13-14,20H,2,7-8,11-12H2,1H3.
What are the key properties of N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine?
N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine has a molecular weight of 319.90 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine is sourced from PubChem (CID 79436727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).