3-(1-benzothiophen-3-ylmethyl)pentan-2-amine

C14H19NS — CID 63738810

IUPAC3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
SMILESCCC(Cc1csc2ccccc12)C(C)N
InChIInChI=1S/C14H19NS/c1-3-11(10(2)15)8-12-9-16-14-7-5-4-6-13(12)14/h4-7,9-11H,3,8,15H2,1-2H3
InChIKeyPGZMZJILTAOXPQ-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.82
Rot. Bonds4

About 3-(1-benzothiophen-3-ylmethyl)pentan-2-amine

3-(1-benzothiophen-3-ylmethyl)pentan-2-amine (PubChem CID 63738810) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
PubChem CID63738810
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name3-(1-benzothiophen-3-ylmethyl)pentan-2-amine
SMILESCCC(Cc1csc2ccccc12)C(C)N
InChIInChI=1S/C14H19NS/c1-3-11(10(2)15)8-12-9-16-14-7-5-4-6-13(12)14/h4-7,9-11H,3,8,15H2,1-2H3
InChIKeyPGZMZJILTAOXPQ-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756
1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105116551
1-(1-benzothiophen-3-yl)heptan-2-amine
CID 115823990
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
2-(1-benzothiophen-3-ylmethyl)butanenitrile
CID 116931610
1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135783
1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062515
3-(2-methyl-3-phenylpropyl)-1-benzothiophene
CID 4715035
2-amino-3-(1-benzothiophen-3-yl)propanal
CID 23504453

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-ylmethyl)pentan-2-amine?
The IUPAC name of 3-(1-benzothiophen-3-ylmethyl)pentan-2-amine (CID 63738810) is 3-(1-benzothiophen-3-ylmethyl)pentan-2-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-ylmethyl)pentan-2-amine?
The canonical SMILES for 3-(1-benzothiophen-3-ylmethyl)pentan-2-amine is CCC(Cc1csc2ccccc12)C(C)N.
What is the InChIKey of 3-(1-benzothiophen-3-ylmethyl)pentan-2-amine?
The InChIKey is PGZMZJILTAOXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-3-11(10(2)15)8-12-9-16-14-7-5-4-6-13(12)14/h4-7,9-11H,3,8,15H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-3-ylmethyl)pentan-2-amine?
3-(1-benzothiophen-3-ylmethyl)pentan-2-amine has a molecular weight of 233.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-ylmethyl)pentan-2-amine is sourced from PubChem (CID 63738810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).