1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol

C16H18ClNOS — CID 61207419

IUPAC1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol
SMILESOC(CNCc1cc2c(s1)CCC2)c1ccccc1Cl
InChIInChI=1S/C16H18ClNOS/c17-14-6-2-1-5-13(14)15(19)10-18-9-12-8-11-4-3-7-16(11)20-12/h1-2,5-6,8,15,18-19H,3-4,7,9-10H2
InChIKeyFGCGNRBCKJGPDT-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.71
Rot. Bonds5

About 1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol

1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol (PubChem CID 61207419) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol
PubChem CID61207419
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol
SMILESOC(CNCc1cc2c(s1)CCC2)c1ccccc1Cl
InChIInChI=1S/C16H18ClNOS/c17-14-6-2-1-5-13(14)15(19)10-18-9-12-8-11-4-3-7-16(11)20-12/h1-2,5-6,8,15,18-19H,3-4,7,9-10H2
InChIKeyFGCGNRBCKJGPDT-UHFFFAOYSA-N
XLogP3.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 61207961
ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate
CID 103242925
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61207416
3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
CID 65185014
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 61208557
3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]benzene-1,2-diol
CID 61320351
5-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]thiophene-3-carbonitrile
CID 111696128
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenylprop-2-en-1-amine
CID 76940271
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1-piperidin-1-ylethanone
CID 61206877
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 63452712
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol (CID 61207419) is 1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol is OC(CNCc1cc2c(s1)CCC2)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol?
The InChIKey is FGCGNRBCKJGPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c17-14-6-2-1-5-13(14)15(19)10-18-9-12-8-11-4-3-7-16(11)20-12/h1-2,5-6,8,15,18-19H,3-4,7,9-10H2.
What are the key properties of 1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol?
1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol has a molecular weight of 307.85 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)ethanol is sourced from PubChem (CID 61207419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).