N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine

C17H20FNO — CID 4716600

IUPACN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-2-11-19-12-15-5-3-4-6-17(15)20-13-14-7-9-16(18)10-8-14/h3-10,19H,2,11-13H2,1H3
InChIKeyHJQHSNPBVNCXPT-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.90
Rot. Bonds7

About N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine

N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 4716600) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID4716600
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-2-11-19-12-15-5-3-4-6-17(15)20-13-14-7-9-16(18)10-8-14/h3-10,19H,2,11-13H2,1H3
InChIKeyHJQHSNPBVNCXPT-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-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-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4718343
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402
2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155194
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17292514
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
CID 17054240
N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine
CID 102939424
N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
CID 4722697
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine;dihydrochloride
CID 171151385
N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine (CID 4716600) is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is HJQHSNPBVNCXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-2-11-19-12-15-5-3-4-6-17(15)20-13-14-7-9-16(18)10-8-14/h3-10,19H,2,11-13H2,1H3.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.90, 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)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 4716600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).