2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C14H13ClFNOS — CID 114837645

IUPAC2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCOc1cc(NC2CCc3sc(Cl)cc32)ccc1F
InChIInChI=1S/C14H13ClFNOS/c1-18-12-6-8(2-3-10(12)16)17-11-4-5-13-9(11)7-14(15)19-13/h2-3,6-7,11,17H,4-5H2,1H3
InChIKeyWRLZQTMDRUXAIJ-UHFFFAOYSA-N
MW297.78 g/mol
LogP4.65
Rot. Bonds3

About 2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 114837645) has the molecular formula C14H13ClFNOS and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID114837645
Molecular FormulaC14H13ClFNOS
Molecular Weight297.78 g/mol
Exact Mass297.04
IUPAC Name2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCOc1cc(NC2CCc3sc(Cl)cc32)ccc1F
InChIInChI=1S/C14H13ClFNOS/c1-18-12-6-8(2-3-10(12)16)17-11-4-5-13-9(11)7-14(15)19-13/h2-3,6-7,11,17H,4-5H2,1H3
InChIKeyWRLZQTMDRUXAIJ-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252267
2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252155
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682716
2-chloro-N-(2,4-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252038
N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252769
2-chloro-N-(2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690514
5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one
CID 81251733
2-chloro-N-(2,4-dibromo-5-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 103411527
2-bromo-N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686874
2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 82706025
N-(4-fluoro-3-methoxyphenyl)thian-4-amine
CID 114837670
N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 114838359

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 114837645) is 2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is COc1cc(NC2CCc3sc(Cl)cc32)ccc1F.
What is the InChIKey of 2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is WRLZQTMDRUXAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNOS/c1-18-12-6-8(2-3-10(12)16)17-11-4-5-13-9(11)7-14(15)19-13/h2-3,6-7,11,17H,4-5H2,1H3.
What are the key properties of 2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 297.78 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 114837645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).