1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine

C17H21NO2 — CID 62156324

IUPAC1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(C)cc1COc1ccc(C(C)N)cc1
InChIInChI=1S/C17H21NO2/c1-12-4-9-17(19-3)15(10-12)11-20-16-7-5-14(6-8-16)13(2)18/h4-10,13H,11,18H2,1-3H3
InChIKeyGZIXSGRZPIRDOS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.60
Rot. Bonds5

About 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine

1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 62156324) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID62156324
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(C)cc1COc1ccc(C(C)N)cc1
InChIInChI=1S/C17H21NO2/c1-12-4-9-17(19-3)15(10-12)11-20-16-7-5-14(6-8-16)13(2)18/h4-10,13H,11,18H2,1-3H3
InChIKeyGZIXSGRZPIRDOS-UHFFFAOYSA-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-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 60860414
(1S)-1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]propan-1-ol
CID 78934350
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
CID 82354174
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
(1R)-1-[4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78933056
2-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanimidamide
CID 62160967
3-[(2-methoxy-5-methylphenyl)methoxy]aniline
CID 61034710
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78933049
3-[(2-methoxy-5-methylphenyl)methoxy]phenol
CID 62159960
1-[4-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 43424347
1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541809
methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170883906

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine (CID 62156324) is 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine is COc1ccc(C)cc1COc1ccc(C(C)N)cc1.
What is the InChIKey of 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is GZIXSGRZPIRDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-4-9-17(19-3)15(10-12)11-20-16-7-5-14(6-8-16)13(2)18/h4-10,13H,11,18H2,1-3H3.
What are the key properties of 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine?
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]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 1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 62156324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).