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

C8H12ClNOS — CID 55220976

IUPAC2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol
SMILESNCC(CO)Cc1ccc(Cl)s1
InChIInChI=1S/C8H12ClNOS/c9-8-2-1-7(12-8)3-6(4-10)5-11/h1-2,6,11H,3-5,10H2
InChIKeyCIKSROPKCBQXMU-UHFFFAOYSA-N
MW205.71 g/mol
LogP1.51
Rot. Bonds4

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

2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol (PubChem CID 55220976) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol
PubChem CID55220976
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol
SMILESNCC(CO)Cc1ccc(Cl)s1
InChIInChI=1S/C8H12ClNOS/c9-8-2-1-7(12-8)3-6(4-10)5-11/h1-2,6,11H,3-5,10H2
InChIKeyCIKSROPKCBQXMU-UHFFFAOYSA-N
XLogP1.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
2-[(5-chlorothiophen-2-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529799
2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62607085
4-(5-chlorothiophen-2-yl)butane-1,2-diol
CID 83934930
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
2-(5-chlorothiophen-2-yl)-1-cyclopropylethanamine
CID 62602598
1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 62607560
4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
CID 64665033
1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
CID 62691720
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
3-(aminomethyl)-1-(5-chlorothiophen-2-yl)-5-methylhexan-2-one
CID 116597969
3-(5-chlorothiophen-2-yl)-2-(1,1-dioxothiolan-3-yl)propan-1-amine
CID 55083701

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol (CID 55220976) is 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol is NCC(CO)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol?
The InChIKey is CIKSROPKCBQXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNOS/c9-8-2-1-7(12-8)3-6(4-10)5-11/h1-2,6,11H,3-5,10H2.
What are the key properties of 2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol?
2-(aminomethyl)-3-(5-chlorothiophen-2-yl)propan-1-ol has a molecular weight of 205.71 g/mol, XLogP of 1.51, 4 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)propan-1-ol is sourced from PubChem (CID 55220976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).