N-(1-phenylpentyl)-1-benzothiophen-5-amine

C19H21NS — CID 43781957

IUPACN-(1-phenylpentyl)-1-benzothiophen-5-amine
SMILESCCCCC(Nc1ccc2sccc2c1)c1ccccc1
InChIInChI=1S/C19H21NS/c1-2-3-9-18(15-7-5-4-6-8-15)20-17-10-11-19-16(14-17)12-13-21-19/h4-8,10-14,18,20H,2-3,9H2,1H3
InChIKeyXESXQKBJUKTNII-UHFFFAOYSA-N
MW295.45 g/mol
LogP6.24
Rot. Bonds6

About N-(1-phenylpentyl)-1-benzothiophen-5-amine

N-(1-phenylpentyl)-1-benzothiophen-5-amine (PubChem CID 43781957) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(1-phenylpentyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(1-phenylpentyl)-1-benzothiophen-5-amine
PubChem CID43781957
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC NameN-(1-phenylpentyl)-1-benzothiophen-5-amine
SMILESCCCCC(Nc1ccc2sccc2c1)c1ccccc1
InChIInChI=1S/C19H21NS/c1-2-3-9-18(15-7-5-4-6-8-15)20-17-10-11-19-16(14-17)12-13-21-19/h4-8,10-14,18,20H,2-3,9H2,1H3
InChIKeyXESXQKBJUKTNII-UHFFFAOYSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
4-bromo-N-(1-phenylpentyl)aniline
CID 43762744
3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline
CID 43775902
N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine
CID 63434078
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43781971
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43099420
ethyl 2-(1-benzothiophen-5-ylamino)pentanoate
CID 79040634
2-(1-benzothiophen-5-ylamino)butanenitrile
CID 65475855

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpentyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(1-phenylpentyl)-1-benzothiophen-5-amine (CID 43781957) is N-(1-phenylpentyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(1-phenylpentyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(1-phenylpentyl)-1-benzothiophen-5-amine is CCCCC(Nc1ccc2sccc2c1)c1ccccc1.
What is the InChIKey of N-(1-phenylpentyl)-1-benzothiophen-5-amine?
The InChIKey is XESXQKBJUKTNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-2-3-9-18(15-7-5-4-6-8-15)20-17-10-11-19-16(14-17)12-13-21-19/h4-8,10-14,18,20H,2-3,9H2,1H3.
What are the key properties of N-(1-phenylpentyl)-1-benzothiophen-5-amine?
N-(1-phenylpentyl)-1-benzothiophen-5-amine has a molecular weight of 295.45 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpentyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 43781957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).