N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine

C17H22FNOS — CID 61058996

IUPACN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C17H22FNOS/c1-13(2)20-9-4-8-19-12-14-6-7-16(18)15(11-14)17-5-3-10-21-17/h3,5-7,10-11,13,19H,4,8-9,12H2,1-2H3
InChIKeyUHMWCJWTEXCYTK-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.46
Rot. Bonds8

About N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 61058996) has the molecular formula C17H22FNOS and a molecular weight of 307.43 g/mol. Its IUPAC name is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
PubChem CID61058996
Molecular FormulaC17H22FNOS
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C17H22FNOS/c1-13(2)20-9-4-8-19-12-14-6-7-16(18)15(11-14)17-5-3-10-21-17/h3,5-7,10-11,13,19H,4,8-9,12H2,1-2H3
InChIKeyUHMWCJWTEXCYTK-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-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

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine (CID 61058996) is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCc1ccc(F)c(-c2cccs2)c1.
What is the InChIKey of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is UHMWCJWTEXCYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOS/c1-13(2)20-9-4-8-19-12-14-6-7-16(18)15(11-14)17-5-3-10-21-17/h3,5-7,10-11,13,19H,4,8-9,12H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine?
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 307.43 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 61058996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).