(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine

C17H20FNO — CID 105371258

IUPAC(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cc(F)ccc2C)c1
InChIInChI=1S/C17H20FNO/c1-12-7-8-16(18)9-15(12)11-19-13(2)14-5-4-6-17(10-14)20-3/h4-10,13,19H,11H2,1-3H3/t13-/m1/s1
InChIKeyOYGUYNSDMMPSRO-CYBMUJFWSA-N
MW273.35 g/mol
LogP3.99
Rot. Bonds5

About (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine

(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 105371258) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID105371258
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cc(F)ccc2C)c1
InChIInChI=1S/C17H20FNO/c1-12-7-8-16(18)9-15(12)11-19-13(2)14-5-4-6-17(10-14)20-3/h4-10,13,19H,11H2,1-3H3/t13-/m1/s1
InChIKeyOYGUYNSDMMPSRO-CYBMUJFWSA-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

(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 102615845
(1S)-N-[(2,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81375876
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182657
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376568
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655
(1S)-N-[(2,6-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376003
2-[[1-(3-fluorophenyl)ethylamino]methyl]-5-methoxyphenol
CID 61262310
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376064
1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine (CID 105371258) is (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@@H](C)NCc2cc(F)ccc2C)c1.
What is the InChIKey of (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is OYGUYNSDMMPSRO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-7-8-16(18)9-15(12)11-19-13(2)14-5-4-6-17(10-14)20-3/h4-10,13,19H,11H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-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 (1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 105371258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).