N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine

C16H18FNO — CID 43283192

IUPACN-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C16H18FNO/c1-12(2)18-11-13-8-9-16(15(17)10-13)19-14-6-4-3-5-7-14/h3-10,12,18H,11H2,1-2H3
InChIKeyAGWAEZKKWINRKC-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.12
Rot. Bonds5

About N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine

N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine (PubChem CID 43283192) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
PubChem CID43283192
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C16H18FNO/c1-12(2)18-11-13-8-9-16(15(17)10-13)19-14-6-4-3-5-7-14/h3-10,12,18H,11H2,1-2H3
InChIKeyAGWAEZKKWINRKC-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-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-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283333
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine
CID 43283656
N-[[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 65200944
N-[[4-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283633
N-[[4-(3-bromo-5-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 81315502
N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
CID 43283191
(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102
N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552724
N-[[3-(2,3-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63943700
N-[[4-(2-chloro-5-methylphenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 43283818
N-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]propan-2-amine
CID 103615857
N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 107687726

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine (CID 43283192) is N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine is CC(C)NCc1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine?
The InChIKey is AGWAEZKKWINRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(2)18-11-13-8-9-16(15(17)10-13)19-14-6-4-3-5-7-14/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine?
N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine has a molecular weight of 259.32 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43283192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).