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

C15H16ClNOS — CID 81253003

IUPAC2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCOc1cccc(CNC2CCc3sc(Cl)cc32)c1
InChIInChI=1S/C15H16ClNOS/c1-18-11-4-2-3-10(7-11)9-17-13-5-6-14-12(13)8-15(16)19-14/h2-4,7-8,13,17H,5-6,9H2,1H3
InChIKeyGRHKXTWCDAOISI-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.19
Rot. Bonds4

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

2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81253003) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81253003
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCOc1cccc(CNC2CCc3sc(Cl)cc32)c1
InChIInChI=1S/C15H16ClNOS/c1-18-11-4-2-3-10(7-11)9-17-13-5-6-14-12(13)8-15(16)19-14/h2-4,7-8,13,17H,5-6,9H2,1H3
InChIKeyGRHKXTWCDAOISI-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 106899450
2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252394
N-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841961
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252564
2-chloro-N-[(5-methylthiophen-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252189
4-[[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]methyl]benzonitrile
CID 81251848
2-chloro-N-(2,4-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252038
2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 82706025
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
2-chloro-N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686548
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81253003) is 2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is COc1cccc(CNC2CCc3sc(Cl)cc32)c1.
What is the InChIKey of 2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is GRHKXTWCDAOISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-18-11-4-2-3-10(7-11)9-17-13-5-6-14-12(13)8-15(16)19-14/h2-4,7-8,13,17H,5-6,9H2,1H3.
What are the key properties of 2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 293.82 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81253003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).