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

C16H18ClNS — CID 106899450

IUPAC2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCCc1ccc(CNC2CCc3sc(Cl)cc32)cc1
InChIInChI=1S/C16H18ClNS/c1-2-11-3-5-12(6-4-11)10-18-14-7-8-15-13(14)9-16(17)19-15/h3-6,9,14,18H,2,7-8,10H2,1H3
InChIKeyRMDVFIUZGVCWKK-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.74
Rot. Bonds4

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

2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 106899450) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID106899450
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCCc1ccc(CNC2CCc3sc(Cl)cc32)cc1
InChIInChI=1S/C16H18ClNS/c1-2-11-3-5-12(6-4-11)10-18-14-7-8-15-13(14)9-16(17)19-15/h3-6,9,14,18H,2,7-8,10H2,1H3
InChIKeyRMDVFIUZGVCWKK-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]methyl]benzonitrile
CID 81251848
2-chloro-N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686548
2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81253003
2-chloro-N-[(5-methylthiophen-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252189
N-[(4-ethylphenyl)methyl]-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 106899394
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252564
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251498
2-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252394
1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682734
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252511
2-chloro-N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687400
2-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252291

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 106899450) is 2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CCc1ccc(CNC2CCc3sc(Cl)cc32)cc1.
What is the InChIKey of 2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is RMDVFIUZGVCWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-2-11-3-5-12(6-4-11)10-18-14-7-8-15-13(14)9-16(17)19-15/h3-6,9,14,18H,2,7-8,10H2,1H3.
What are the key properties of 2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 291.85 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-ethylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 106899450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).