3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol

C15H17ClFNOS — CID 82808604

IUPAC3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol
SMILESCCc1ccsc1C(O)C(CN)c1cccc(Cl)c1F
InChIInChI=1S/C15H17ClFNOS/c1-2-9-6-7-20-15(9)14(19)11(8-18)10-4-3-5-12(16)13(10)17/h3-7,11,14,19H,2,8,18H2,1H3
InChIKeyPIKPAIHIXIUBRC-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.88
Rot. Bonds5

About 3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol

3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol (PubChem CID 82808604) has the molecular formula C15H17ClFNOS and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol
PubChem CID82808604
Molecular FormulaC15H17ClFNOS
Molecular Weight313.83 g/mol
Exact Mass313.07
IUPAC Name3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol
SMILESCCc1ccsc1C(O)C(CN)c1cccc(Cl)c1F
InChIInChI=1S/C15H17ClFNOS/c1-2-9-6-7-20-15(9)14(19)11(8-18)10-4-3-5-12(16)13(10)17/h3-7,11,14,19H,2,8,18H2,1H3
InChIKeyPIKPAIHIXIUBRC-UHFFFAOYSA-N
XLogP3.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 102867292
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CID 82792768
1-amino-2-(3-chloro-2-fluorophenyl)-6-thiophen-2-ylhexan-3-ol
CID 82793341
3-amino-1-(3-chlorothiophen-2-yl)-2-(2,6-dichlorophenyl)propan-1-ol
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2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)propan-1-ol
CID 82792629
2-(aminomethyl)-1-(3-ethylthiophen-2-yl)pentan-1-ol
CID 79975322
3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 81262776
(3-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methanamine
CID 79988148
4-amino-3-(3-chloro-2-fluorophenyl)hexanoic acid
CID 114489142
4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid
CID 114489141
3-amino-2-(2,4-dichlorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65185608

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol (CID 82808604) is 3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol is CCc1ccsc1C(O)C(CN)c1cccc(Cl)c1F.
What is the InChIKey of 3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol?
The InChIKey is PIKPAIHIXIUBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNOS/c1-2-9-6-7-20-15(9)14(19)11(8-18)10-4-3-5-12(16)13(10)17/h3-7,11,14,19H,2,8,18H2,1H3.
What are the key properties of 3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol?
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol has a molecular weight of 313.83 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-ethylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 82808604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).