3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine

C16H21NS — CID 43495958

IUPAC3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)c1cccs1
InChIInChI=1S/C16H21NS/c1-2-12-17-15(16-9-6-13-18-16)11-10-14-7-4-3-5-8-14/h3-9,13,15,17H,2,10-12H2,1H3
InChIKeyAAPHLPMCWQRWQW-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.42
Rot. Bonds7

About 3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine

3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 43495958) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
PubChem CID43495958
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
SMILESCCCNC(CCc1ccccc1)c1cccs1
InChIInChI=1S/C16H21NS/c1-2-12-17-15(16-9-6-13-18-16)11-10-14-7-4-3-5-8-14/h3-9,13,15,17H,2,10-12H2,1H3
InChIKeyAAPHLPMCWQRWQW-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
1-(4,5-dibromothiophen-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115793519
1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 105094339
N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
CID 43495939
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
CID 63414646
1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 107102031
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
CID 105100649
1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 63417221
N-ethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride
CID 3061989
1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860725

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine (CID 43495958) is 3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine is CCCNC(CCc1ccccc1)c1cccs1.
What is the InChIKey of 3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is AAPHLPMCWQRWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-2-12-17-15(16-9-6-13-18-16)11-10-14-7-4-3-5-8-14/h3-9,13,15,17H,2,10-12H2,1H3.
What are the key properties of 3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine?
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43495958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).