3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol

C16H18ClNOS — CID 65185014

IUPAC3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
SMILESNCC(c1ccccc1Cl)C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C16H18ClNOS/c17-13-6-2-1-5-11(13)12(9-18)16(19)15-8-10-4-3-7-14(10)20-15/h1-2,5-6,8,12,16,19H,3-4,7,9,18H2
InChIKeyILXMTWFADALMST-UHFFFAOYSA-N
MW307.85 g/mol
LogP3.67
Rot. Bonds4

About 3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol

3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol (PubChem CID 65185014) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
PubChem CID65185014
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
SMILESNCC(c1ccccc1Cl)C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C16H18ClNOS/c17-13-6-2-1-5-11(13)12(9-18)16(19)15-8-10-4-3-7-14(10)20-15/h1-2,5-6,8,12,16,19H,3-4,7,9,18H2
InChIKeyILXMTWFADALMST-UHFFFAOYSA-N
XLogP3.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol (CID 65185014) is 3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol is NCC(c1ccccc1Cl)C(O)c1cc2c(s1)CCC2.
What is the InChIKey of 3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol?
The InChIKey is ILXMTWFADALMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c17-13-6-2-1-5-11(13)12(9-18)16(19)15-8-10-4-3-7-14(10)20-15/h1-2,5-6,8,12,16,19H,3-4,7,9,18H2.
What are the key properties of 3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol?
3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol has a molecular weight of 307.85 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol is sourced from PubChem (CID 65185014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).