N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine

C17H22FNS — CID 79437960

IUPACN-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNS/c1-13(2)11-19-12-15(10-17-4-3-9-20-17)14-5-7-16(18)8-6-14/h3-9,13,15,19H,10-12H2,1-2H3
InChIKeyGAVDORKEWFJENF-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.46
Rot. Bonds7

About N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine

N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine (PubChem CID 79437960) has the molecular formula C17H22FNS and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine
PubChem CID79437960
Molecular FormulaC17H22FNS
Molecular Weight291.44 g/mol
Exact Mass291.15
IUPAC NameN-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNS/c1-13(2)11-19-12-15(10-17-4-3-9-20-17)14-5-7-16(18)8-6-14/h3-9,13,15,19H,10-12H2,1-2H3
InChIKeyGAVDORKEWFJENF-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-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-(4-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 79436154
2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79436947
2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79440969
2-phenyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 65430414
2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine
CID 79433328
3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 81015336
2-(2-fluorophenyl)-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 79435475
N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79432215
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79437459
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine
CID 115979461
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79437882

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine (CID 79437960) is N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine is CC(C)CNCC(Cc1cccs1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine?
The InChIKey is GAVDORKEWFJENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNS/c1-13(2)11-19-12-15(10-17-4-3-9-20-17)14-5-7-16(18)8-6-14/h3-9,13,15,19H,10-12H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine?
N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79437960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).