(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine

C15H16FNO — CID 107718661

IUPAC(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccccc2)cc1F
InChIInChI=1S/C15H16FNO/c1-11(17)14-8-7-13(9-15(14)16)18-10-12-5-3-2-4-6-12/h2-9,11H,10,17H2,1H3/t11-/m0/s1
InChIKeyZDMNZIQZGOWEMQ-NSHDSACASA-N
MW245.30 g/mol
LogP3.42
Rot. Bonds4

About (1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine

(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine (PubChem CID 107718661) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
PubChem CID107718661
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccccc2)cc1F
InChIInChI=1S/C15H16FNO/c1-11(17)14-8-7-13(9-15(14)16)18-10-12-5-3-2-4-6-12/h2-9,11H,10,17H2,1H3/t11-/m0/s1
InChIKeyZDMNZIQZGOWEMQ-NSHDSACASA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998
1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 107715958
(1S)-1-[2-fluoro-4-(2-phenylethoxy)phenyl]ethanamine
CID 107718914
(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107718291
1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107716098
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718926
(1R)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718357
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718633
(1R)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718139
(1S)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718705

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine?
The IUPAC name of (1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine (CID 107718661) is (1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for (1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine is C[C@H](N)c1ccc(OCc2ccccc2)cc1F.
What is the InChIKey of (1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine?
The InChIKey is ZDMNZIQZGOWEMQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H16FNO/c1-11(17)14-8-7-13(9-15(14)16)18-10-12-5-3-2-4-6-12/h2-9,11H,10,17H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine?
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine has a molecular weight of 245.30 g/mol, XLogP of 3.42, 4 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-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 107718661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).