N-benzyl-3-thiophen-2-ylpropan-1-amine

C14H17NS — CID 83456686

IUPACN-benzyl-3-thiophen-2-ylpropan-1-amine
SMILESc1ccc(CNCCCc2cccs2)cc1
InChIInChI=1S/C14H17NS/c1-2-6-13(7-3-1)12-15-10-4-8-14-9-5-11-16-14/h1-3,5-7,9,11,15H,4,8,10,12H2
InChIKeyBFWIFYQPCSJLCO-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.47
Rot. Bonds6

About N-benzyl-3-thiophen-2-ylpropan-1-amine

N-benzyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 83456686) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-benzyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-thiophen-2-ylpropan-1-amine
PubChem CID83456686
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-benzyl-3-thiophen-2-ylpropan-1-amine
SMILESc1ccc(CNCCCc2cccs2)cc1
InChIInChI=1S/C14H17NS/c1-2-6-13(7-3-1)12-15-10-4-8-14-9-5-11-16-14/h1-3,5-7,9,11,15H,4,8,10,12H2
InChIKeyBFWIFYQPCSJLCO-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-3-thiophen-2-ylpropan-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

3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883665
3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 114289826
N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883663
1-benzyl-2-(thiophen-2-ylmethyl)hydrazine
CID 90764446
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
2-(8-phenyloct-4-enyl)thiophene
CID 70351967
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427
N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 115767520
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-benzyl-3-thiophen-2-ylpropan-1-amine (CID 83456686) is N-benzyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-benzyl-3-thiophen-2-ylpropan-1-amine is c1ccc(CNCCCc2cccs2)cc1.
What is the InChIKey of N-benzyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is BFWIFYQPCSJLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-2-6-13(7-3-1)12-15-10-4-8-14-9-5-11-16-14/h1-3,5-7,9,11,15H,4,8,10,12H2.
What are the key properties of N-benzyl-3-thiophen-2-ylpropan-1-amine?
N-benzyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 83456686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).