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

C17H20ClNOS — CID 81247137

IUPAC2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCC(C)COc1cccc(NC2CCc3sc(Cl)cc32)c1
InChIInChI=1S/C17H20ClNOS/c1-11(2)10-20-13-5-3-4-12(8-13)19-15-6-7-16-14(15)9-17(18)21-16/h3-5,8-9,11,15,19H,6-7,10H2,1-2H3
InChIKeyHVNWYCDFHUAFRN-UHFFFAOYSA-N
MW321.87 g/mol
LogP5.54
Rot. Bonds5

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

2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81247137) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81247137
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCC(C)COc1cccc(NC2CCc3sc(Cl)cc32)c1
InChIInChI=1S/C17H20ClNOS/c1-11(2)10-20-13-5-3-4-12(8-13)19-15-6-7-16-14(15)9-17(18)21-16/h3-5,8-9,11,15,19H,6-7,10H2,1-2H3
InChIKeyHVNWYCDFHUAFRN-UHFFFAOYSA-N
XLogP5.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.87
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(2-methylpropoxy)aniline
CID 103439181
2-chloro-N-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686856
2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252491
4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol
CID 106594336
N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline
CID 64623365
2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252155
N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252769
2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 82706025
1-methyl-N-[3-(2-methylpropoxy)phenyl]azepan-4-amine
CID 65070438
2-chloro-N-[(3-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81253003
2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81235453
2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine
CID 82727034

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81247137) is 2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CC(C)COc1cccc(NC2CCc3sc(Cl)cc32)c1.
What is the InChIKey of 2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is HVNWYCDFHUAFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c1-11(2)10-20-13-5-3-4-12(8-13)19-15-6-7-16-14(15)9-17(18)21-16/h3-5,8-9,11,15,19H,6-7,10H2,1-2H3.
What are the key properties of 2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 321.87 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81247137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).