2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine

C14H19NS — CID 114911206

IUPAC2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine
SMILESCC(C)C(N)C(C)c1cc2ccccc2s1
InChIInChI=1S/C14H19NS/c1-9(2)14(15)10(3)13-8-11-6-4-5-7-12(11)16-13/h4-10,14H,15H2,1-3H3
InChIKeyXQLYJHBNVYSHRQ-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.99
Rot. Bonds3

About 2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine

2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine (PubChem CID 114911206) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine
PubChem CID114911206
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine
SMILESCC(C)C(N)C(C)c1cc2ccccc2s1
InChIInChI=1S/C14H19NS/c1-9(2)14(15)10(3)13-8-11-6-4-5-7-12(11)16-13/h4-10,14H,15H2,1-3H3
InChIKeyXQLYJHBNVYSHRQ-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
CID 115782410
2-(dimethoxymethyl)-1-benzothiophene
CID 119086272
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844225
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
1-(1-benzothiophen-2-yl)-N,2,2-trimethylpropan-1-amine
CID 115854470
(2R)-2-(1-benzothiophen-2-yl)propanoate
CID 7230612
2-(1-propa-1,2-dienoxyethyl)-1-benzothiophene
CID 118967521

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine (CID 114911206) is 2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine is CC(C)C(N)C(C)c1cc2ccccc2s1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine?
The InChIKey is XQLYJHBNVYSHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-9(2)14(15)10(3)13-8-11-6-4-5-7-12(11)16-13/h4-10,14H,15H2,1-3H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine?
2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine has a molecular weight of 233.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-4-methylpentan-3-amine is sourced from PubChem (CID 114911206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).