2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine

C18H25NS — CID 81024076

IUPAC2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
SMILESCCCNCC(CCCc1cccs1)c1ccccc1
InChIInChI=1S/C18H25NS/c1-2-13-19-15-17(16-8-4-3-5-9-16)10-6-11-18-12-7-14-20-18/h3-5,7-9,12,14,17,19H,2,6,10-11,13,15H2,1H3
InChIKeyJIVRICGQQWZAGW-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.85
Rot. Bonds9

About 2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine

2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine (PubChem CID 81024076) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
PubChem CID81024076
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
SMILESCCCNCC(CCCc1cccs1)c1ccccc1
InChIInChI=1S/C18H25NS/c1-2-13-19-15-17(16-8-4-3-5-9-16)10-6-11-18-12-7-14-20-18/h3-5,7-9,12,14,17,19H,2,6,10-11,13,15H2,1H3
InChIKeyJIVRICGQQWZAGW-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
CID 81023830
2-phenyl-N-propylnonan-1-amine
CID 65429485
2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 65430973
2-ethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63774829
2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79436947
2-phenyl-N-propyloct-6-yn-1-amine
CID 113456169
2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine
CID 106735539
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595
2-methyl-N-propyl-6-thiophen-2-ylhexan-3-amine
CID 63775526
(2S)-N-butyl-2-phenyl-5-propyloctan-1-amine
CID 142174124
2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79416940
2-(2-phenylnonylamino)ethanol
CID 142077190

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine?
The IUPAC name of 2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine (CID 81024076) is 2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine.
What is the SMILES notation for 2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine?
The canonical SMILES for 2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine is CCCNCC(CCCc1cccs1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine?
The InChIKey is JIVRICGQQWZAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-2-13-19-15-17(16-8-4-3-5-9-16)10-6-11-18-12-7-14-20-18/h3-5,7-9,12,14,17,19H,2,6,10-11,13,15H2,1H3.
What are the key properties of 2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine?
2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine is sourced from PubChem (CID 81024076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).