1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine

C18H23NO2 — CID 60860414

IUPAC1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1COc1ccc(C)c(C)c1
InChIInChI=1S/C18H23NO2/c1-12-5-7-17(9-13(12)2)21-11-16-10-15(14(3)19)6-8-18(16)20-4/h5-10,14H,11,19H2,1-4H3
InChIKeyUKSDVWZDJWJWOR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.91
Rot. Bonds5

About 1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine

1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine (PubChem CID 60860414) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
PubChem CID60860414
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1COc1ccc(C)c(C)c1
InChIInChI=1S/C18H23NO2/c1-12-5-7-17(9-13(12)2)21-11-16-10-15(14(3)19)6-8-18(16)20-4/h5-10,14H,11,19H2,1-4H3
InChIKeyUKSDVWZDJWJWOR-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine
CID 62156324
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
CID 82354174
(2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol
CID 66516300
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine
CID 54936626
1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine
CID 64626883
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 55132671
(1R)-1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 63369799
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
2-(3,4-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16784581
(1S)-1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78936316
[3-[(4-bromo-3-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 83133090
3-[(3,4-dimethylphenoxy)methyl]-4-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 133178361

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine?
The IUPAC name of 1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine (CID 60860414) is 1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine?
The canonical SMILES for 1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine is COc1ccc(C(C)N)cc1COc1ccc(C)c(C)c1.
What is the InChIKey of 1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine?
The InChIKey is UKSDVWZDJWJWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-5-7-17(9-13(12)2)21-11-16-10-15(14(3)19)6-8-18(16)20-4/h5-10,14H,11,19H2,1-4H3.
What are the key properties of 1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine?
1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 60860414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).