2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol

C10H16ClNOS — CID 106508322

IUPAC2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
SMILESCCC(CN)(CO)Cc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-2-10(6-12,7-13)5-8-3-4-9(11)14-8/h3-4,13H,2,5-7,12H2,1H3
InChIKeyMTRTXOXGZAVYDX-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.29
Rot. Bonds5

About 2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol

2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol (PubChem CID 106508322) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
PubChem CID106508322
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
SMILESCCC(CN)(CO)Cc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-2-10(6-12,7-13)5-8-3-4-9(11)14-8/h3-4,13H,2,5-7,12H2,1H3
InChIKeyMTRTXOXGZAVYDX-UHFFFAOYSA-N
XLogP2.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine
CID 112566022
3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 66025156
2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol
CID 106506348
2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine
CID 63508597
2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506959
1-(5-chlorothiophen-2-yl)-2-phenylbutan-2-amine
CID 62619974
2-(aminomethyl)-2-ethylpropane-1,3-diol
CID 22736429
2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol
CID 106508317
1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol
CID 65149389
2-(aminomethyl)-2-[(3-bromothiophen-2-yl)methyl]butan-1-ol
CID 106508309
tert-butyl N-[2-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-4-methylpentyl]carbamate
CID 106507980
2-chloro-5-(2-ethyl-2-methylheptyl)thiophene
CID 130455839

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol (CID 106508322) is 2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol is CCC(CN)(CO)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol?
The InChIKey is MTRTXOXGZAVYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-2-10(6-12,7-13)5-8-3-4-9(11)14-8/h3-4,13H,2,5-7,12H2,1H3.
What are the key properties of 2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol?
2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol has a molecular weight of 233.76 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol is sourced from PubChem (CID 106508322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).