(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine

C15H16FNO — CID 107169557

IUPAC(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2ccccc2[C@H](C)N)cc1F
InChIInChI=1S/C15H16FNO/c1-10-7-8-12(9-14(10)16)18-15-6-4-3-5-13(15)11(2)17/h3-9,11H,17H2,1-2H3/t11-/m0/s1
InChIKeyDWDPOPFWTRSRQB-NSHDSACASA-N
MW245.30 g/mol
LogP3.95
Rot. Bonds3

About (1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine

(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine (PubChem CID 107169557) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is (1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
PubChem CID107169557
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Oc2ccccc2[C@H](C)N)cc1F
InChIInChI=1S/C15H16FNO/c1-10-7-8-12(9-14(10)16)18-15-6-4-3-5-13(15)11(2)17/h3-9,11H,17H2,1-2H3/t11-/m0/s1
InChIKeyDWDPOPFWTRSRQB-NSHDSACASA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine 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

1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056793
1-[2-chloro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169559
1-[2-(4-chlorophenoxy)phenyl]ethanamine
CID 43189173
1-[2-(2-fluoro-5-methylphenoxy)phenyl]ethanamine
CID 64855797
1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63647836
1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
CID 55168326
(1R)-1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 55244815
(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
CID 30058518
1-[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]-N-methylethanamine
CID 107169524
1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 43589925
1-[2-(2,3-difluorophenoxy)phenyl]ethanamine
CID 55143803

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine (CID 107169557) is (1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine is Cc1ccc(Oc2ccccc2[C@H](C)N)cc1F.
What is the InChIKey of (1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine?
The InChIKey is DWDPOPFWTRSRQB-NSHDSACASA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-7-8-12(9-14(10)16)18-15-6-4-3-5-13(15)11(2)17/h3-9,11H,17H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine?
(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine has a molecular weight of 245.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 107169557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).