1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol

C15H21NOS — CID 103631658

IUPAC1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCc1csc2ccccc12
InChIInChI=1S/C15H21NOS/c1-11(2)7-13(17)9-16-8-12-10-18-15-6-4-3-5-14(12)15/h3-6,10-11,13,16-17H,7-9H2,1-2H3
InChIKeyWOTKVKKXOMBUJV-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.40
Rot. Bonds6

About 1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol

1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol (PubChem CID 103631658) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol
PubChem CID103631658
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCc1csc2ccccc12
InChIInChI=1S/C15H21NOS/c1-11(2)7-13(17)9-16-8-12-10-18-15-6-4-3-5-14(12)15/h3-6,10-11,13,16-17H,7-9H2,1-2H3
InChIKeyWOTKVKKXOMBUJV-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 62694134
3-(1-benzothiophen-3-ylmethylamino)-2-methylpropanenitrile
CID 62699047
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]phenol;hydrochloride
CID 115603201
1-[2-(1-benzothiophen-3-ylmethylamino)phenyl]ethanol
CID 62698299
N-(1-benzothiophen-3-ylmethyl)-2,2-diethoxyethanamine
CID 66977939
(2R)-2-(1-benzothiophen-3-ylmethylamino)-4-methylpentanoic acid
CID 94550244
N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
CID 103770892
3-(1-benzothiophen-3-ylmethylamino)-2-(methylamino)propanoic acid
CID 115256146
2-(1-benzothiophen-3-ylmethylamino)-1-(4-methoxyphenyl)ethanol
CID 110889955
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide
CID 60704968

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol?
The IUPAC name of 1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol (CID 103631658) is 1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol is CC(C)CC(O)CNCc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol?
The InChIKey is WOTKVKKXOMBUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11(2)7-13(17)9-16-8-12-10-18-15-6-4-3-5-14(12)15/h3-6,10-11,13,16-17H,7-9H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol?
1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol has a molecular weight of 263.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol is sourced from PubChem (CID 103631658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).