(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine

C17H21NO2 — CID 78947366

IUPAC(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
SMILESCOc1ccc(COc2cc(C)ccc2[C@H](C)N)cc1
InChIInChI=1S/C17H21NO2/c1-12-4-9-16(13(2)18)17(10-12)20-11-14-5-7-15(19-3)8-6-14/h4-10,13H,11,18H2,1-3H3/t13-/m0/s1
InChIKeyMHUTXZJMKXQYJZ-ZDUSSCGKSA-N
MW271.36 g/mol
LogP3.60
Rot. Bonds5

About (1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine

(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine (PubChem CID 78947366) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
PubChem CID78947366
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
SMILESCOc1ccc(COc2cc(C)ccc2[C@H](C)N)cc1
InChIInChI=1S/C17H21NO2/c1-12-4-9-16(13(2)18)17(10-12)20-11-14-5-7-15(19-3)8-6-14/h4-10,13H,11,18H2,1-3H3/t13-/m0/s1
InChIKeyMHUTXZJMKXQYJZ-ZDUSSCGKSA-N
XLogP3.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78946962
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63650101
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanamine
CID 82002712
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]benzonitrile
CID 63639624
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
(1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 78947153
(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947420
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688691
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63641471
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine (CID 78947366) is (1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine is COc1ccc(COc2cc(C)ccc2[C@H](C)N)cc1.
What is the InChIKey of (1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine?
The InChIKey is MHUTXZJMKXQYJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-4-9-16(13(2)18)17(10-12)20-11-14-5-7-15(19-3)8-6-14/h4-10,13H,11,18H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine?
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine is sourced from PubChem (CID 78947366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).