2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol

C14H14ClF2NOS — CID 106506959

IUPAC2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1ccc(Cl)s1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H14ClF2NOS/c15-13-2-1-12(20-13)6-14(7-18,8-19)9-3-10(16)5-11(17)4-9/h1-5,19H,6-8,18H2
InChIKeyNOLDFUOTQZQJKH-UHFFFAOYSA-N
MW317.79 g/mol
LogP3.11
Rot. Bonds5

About 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol

2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol (PubChem CID 106506959) has the molecular formula C14H14ClF2NOS and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
PubChem CID106506959
Molecular FormulaC14H14ClF2NOS
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1ccc(Cl)s1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H14ClF2NOS/c15-13-2-1-12(20-13)6-14(7-18,8-19)9-3-10(16)5-11(17)4-9/h1-5,19H,6-8,18H2
InChIKeyNOLDFUOTQZQJKH-UHFFFAOYSA-N
XLogP3.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 106506993
2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506992
2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine
CID 112566022
2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
CID 106508322
2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507025
3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 66025156
1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol
CID 114080689
2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
CID 106507337
2-(aminomethyl)-3-(2-chloro-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508157
2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol
CID 106506958
2-(aminomethyl)-3-(3,5-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507369
2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351112

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol (CID 106506959) is 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol is NCC(CO)(Cc1ccc(Cl)s1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol?
The InChIKey is NOLDFUOTQZQJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2NOS/c15-13-2-1-12(20-13)6-14(7-18,8-19)9-3-10(16)5-11(17)4-9/h1-5,19H,6-8,18H2.
What are the key properties of 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol?
2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol has a molecular weight of 317.79 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 106506959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).