(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine

C17H20FNO — CID 81398001

IUPAC(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1[C@H](C)NCc1ccc(F)cc1C
InChIInChI=1S/C17H20FNO/c1-12-10-15(18)9-8-14(12)11-19-13(2)16-6-4-5-7-17(16)20-3/h4-10,13,19H,11H2,1-3H3/t13-/m0/s1
InChIKeyVRYFHWGIRXNMIJ-ZDUSSCGKSA-N
MW273.35 g/mol
LogP3.99
Rot. Bonds5

About (1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine

(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 81398001) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID81398001
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1[C@H](C)NCc1ccc(F)cc1C
InChIInChI=1S/C17H20FNO/c1-12-10-15(18)9-8-14(12)11-19-13(2)16-6-4-5-7-17(16)20-3/h4-10,13,19H,11H2,1-3H3/t13-/m0/s1
InChIKeyVRYFHWGIRXNMIJ-ZDUSSCGKSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62134908
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81386984
(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 81384034
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853
1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
4-fluoro-2-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]benzonitrile
CID 107904601
4-fluoro-2-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]benzonitrile
CID 107904599
4-[[1-(2-methoxyphenyl)ethylamino]methyl]benzene-1,3-diol
CID 43202064
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43728649
(1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397936
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine (CID 81398001) is (1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine is COc1ccccc1[C@H](C)NCc1ccc(F)cc1C.
What is the InChIKey of (1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is VRYFHWGIRXNMIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-10-15(18)9-8-14(12)11-19-13(2)16-6-4-5-7-17(16)20-3/h4-10,13,19H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 81398001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).