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

C17H20ClNS — CID 81252769

IUPACN-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCC(C)(C)c1ccc(NC2CCc3sc(Cl)cc32)cc1
InChIInChI=1S/C17H20ClNS/c1-17(2,3)11-4-6-12(7-5-11)19-14-8-9-15-13(14)10-16(18)20-15/h4-7,10,14,19H,8-9H2,1-3H3
InChIKeyJQKNTDNQNISMKM-UHFFFAOYSA-N
MW305.87 g/mol
LogP5.80
Rot. Bonds2

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

N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252769) has the molecular formula C17H20ClNS and a molecular weight of 305.87 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252769
Molecular FormulaC17H20ClNS
Molecular Weight305.87 g/mol
Exact Mass305.10
IUPAC NameN-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCC(C)(C)c1ccc(NC2CCc3sc(Cl)cc32)cc1
InChIInChI=1S/C17H20ClNS/c1-17(2,3)11-4-6-12(7-5-11)19-14-8-9-15-13(14)10-16(18)20-15/h4-7,10,14,19H,8-9H2,1-3H3
InChIKeyJQKNTDNQNISMKM-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.87
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]acetonitrile
CID 81252485
2-chloro-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687709
5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one
CID 81251733
2-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81246651
2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114837645
N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide
CID 82687102
2-chloro-5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzonitrile
CID 81252580
2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251828
4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzonitrile
CID 82686736
2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252491
2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide
CID 81251727

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252769) is N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is CC(C)(C)c1ccc(NC2CCc3sc(Cl)cc32)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is JQKNTDNQNISMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNS/c1-17(2,3)11-4-6-12(7-5-11)19-14-8-9-15-13(14)10-16(18)20-15/h4-7,10,14,19H,8-9H2,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 305.87 g/mol, XLogP of 5.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).