1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine

C9H12ClNS — CID 130631226

IUPAC1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine
SMILESCC(N)C1CC1c1ccsc1Cl
InChIInChI=1S/C9H12ClNS/c1-5(11)7-4-8(7)6-2-3-12-9(6)10/h2-3,5,7-8H,4,11H2,1H3
InChIKeyAHVKKAZYMGGQAQ-UHFFFAOYSA-N
MW201.72 g/mol
LogP2.85
Rot. Bonds2

About 1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine

1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine (PubChem CID 130631226) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is 1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine
PubChem CID130631226
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine
SMILESCC(N)C1CC1c1ccsc1Cl
InChIInChI=1S/C9H12ClNS/c1-5(11)7-4-8(7)6-2-3-12-9(6)10/h2-3,5,7-8H,4,11H2,1H3
InChIKeyAHVKKAZYMGGQAQ-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine
CID 29079561
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanamine
CID 28912124
[2-(2-chlorothiophen-3-yl)cyclopropyl]methanamine
CID 131187292
1-[2-(2-chlorothiophen-3-yl)cyclopropyl]-N-methylmethanamine
CID 130679836
(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 124744909
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine
CID 43150348
(1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine
CID 93284927
(1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine
CID 29079347
3-(3-bromo-2-methylcyclopentyl)-2-chlorothiophene
CID 130679850
(1R)-1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]ethanamine
CID 29079123
(1S)-1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]ethanamine
CID 28912438
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine
CID 124550908

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine (CID 130631226) is 1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine is CC(N)C1CC1c1ccsc1Cl.
What is the InChIKey of 1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine?
The InChIKey is AHVKKAZYMGGQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-5(11)7-4-8(7)6-2-3-12-9(6)10/h2-3,5,7-8H,4,11H2,1H3.
What are the key properties of 1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine?
1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine has a molecular weight of 201.72 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 130631226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).