2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol

C10H16ClNOS — CID 80642659

IUPAC2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)c1sccc1Cl
InChIInChI=1S/C10H16ClNOS/c1-6(2)7(5-12)9(13)10-8(11)3-4-14-10/h3-4,6-7,9,13H,5,12H2,1-2H3
InChIKeyOJELGZZTJQYUQE-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.67
Rot. Bonds4

About 2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol

2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol (PubChem CID 80642659) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol
PubChem CID80642659
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)c1sccc1Cl
InChIInChI=1S/C10H16ClNOS/c1-6(2)7(5-12)9(13)10-8(11)3-4-14-10/h3-4,6-7,9,13H,5,12H2,1-2H3
InChIKeyOJELGZZTJQYUQE-UHFFFAOYSA-N
XLogP2.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-1-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 65185261
3-Amino-1-(5-chlorothiophen-2-yl)-2-(4-fluorophenyl)propan-1-ol
CID 65185525
3-Amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-3-ylpropan-1-ol
CID 65185997
3-Amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
CID 65186187
3-Amino-2-(2-chloro-6-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 65186385
3-Amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol
CID 65186431
3-Amino-2-(2-chloro-6-fluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65186628
3-Amino-2-(2-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
CID 65189249
3-Amino-1-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189330
3-Amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 65189446
3-Amino-2-(2-chloro-4-fluorophenyl)-1-thiophen-2-ylpropan-1-ol
CID 65189489
3-Amino-1-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189624

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol (CID 80642659) is 2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol is CC(C)C(CN)C(O)c1sccc1Cl.
What is the InChIKey of 2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol?
The InChIKey is OJELGZZTJQYUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-6(2)7(5-12)9(13)10-8(11)3-4-14-10/h3-4,6-7,9,13H,5,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol?
2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol has a molecular weight of 233.76 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-chlorothiophen-2-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 80642659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).