4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol

C9H15ClN2OS — CID 117039086

IUPAC4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol
SMILESCN(CC(O)CCN)c1ccc(Cl)s1
InChIInChI=1S/C9H15ClN2OS/c1-12(6-7(13)4-5-11)9-3-2-8(10)14-9/h2-3,7,13H,4-6,11H2,1H3
InChIKeyUXDHQEDYFIKLOG-UHFFFAOYSA-N
MW234.75 g/mol
LogP1.55
Rot. Bonds5

About 4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol

4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol (PubChem CID 117039086) has the molecular formula C9H15ClN2OS and a molecular weight of 234.75 g/mol. Its IUPAC name is 4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol
PubChem CID117039086
Molecular FormulaC9H15ClN2OS
Molecular Weight234.75 g/mol
Exact Mass234.06
IUPAC Name4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol
SMILESCN(CC(O)CCN)c1ccc(Cl)s1
InChIInChI=1S/C9H15ClN2OS/c1-12(6-7(13)4-5-11)9-3-2-8(10)14-9/h2-3,7,13H,4-6,11H2,1H3
InChIKeyUXDHQEDYFIKLOG-UHFFFAOYSA-N
XLogP1.55
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[(5-bromothiophen-2-yl)-methylamino]butan-2-ol
CID 117039087
3-amino-4-[(5-chlorothiophen-2-yl)-methylamino]butanoic acid
CID 115241562
N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204304
2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine
CID 117039872
4-amino-1-(N-methyl-4-propylanilino)butan-2-ol
CID 117039080
4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol
CID 117039116
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine
CID 115226650
4-amino-1-(dimethylamino)butan-2-ol;hydrochloride
CID 83967321
N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
CID 91603998
4-amino-1-(3,4-dimethoxy-N-methylanilino)butan-2-ol
CID 117039074
1-[3-[(4-amino-2-hydroxybutyl)-methylamino]phenyl]ethanone
CID 112514419
1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol
CID 115346039

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol?
The IUPAC name of 4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol (CID 117039086) is 4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol.
What is the SMILES notation for 4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol?
The canonical SMILES for 4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol is CN(CC(O)CCN)c1ccc(Cl)s1.
What is the InChIKey of 4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol?
The InChIKey is UXDHQEDYFIKLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2OS/c1-12(6-7(13)4-5-11)9-3-2-8(10)14-9/h2-3,7,13H,4-6,11H2,1H3.
What are the key properties of 4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol?
4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol has a molecular weight of 234.75 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol is sourced from PubChem (CID 117039086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).