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

C16H18FNO — CID 107718914

IUPAC(1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCCc2ccccc2)cc1F
InChIInChI=1S/C16H18FNO/c1-12(18)15-8-7-14(11-16(15)17)19-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10,18H2,1H3/t12-/m0/s1
InChIKeyNUOCVUFKJNVOBK-LBPRGKRZSA-N
MW259.32 g/mol
LogP3.47
Rot. Bonds5

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

(1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine (PubChem CID 107718914) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine
PubChem CID107718914
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCCc2ccccc2)cc1F
InChIInChI=1S/C16H18FNO/c1-12(18)15-8-7-14(11-16(15)17)19-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10,18H2,1H3/t12-/m0/s1
InChIKeyNUOCVUFKJNVOBK-LBPRGKRZSA-N
XLogP3.47
TPSA35.25 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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[2-fluoro-4-(2-phenylethoxy)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-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
4-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]butanenitrile
CID 107718107
(1R)-1-[4-(4,4-dimethylpentoxy)-2-fluorophenyl]ethanamine
CID 114209341
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
CID 107718100

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine (CID 107718914) is (1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine is C[C@H](N)c1ccc(OCCc2ccccc2)cc1F.
What is the InChIKey of (1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine?
The InChIKey is NUOCVUFKJNVOBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12(18)15-8-7-14(11-16(15)17)19-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10,18H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine?
(1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine is sourced from PubChem (CID 107718914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).