1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine

C17H21NO2 — CID 82541809

IUPAC1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
SMILESCOc1ccc(C)cc1-c1cc(C(C)N)ccc1OC
InChIInChI=1S/C17H21NO2/c1-11-5-7-16(19-3)14(9-11)15-10-13(12(2)18)6-8-17(15)20-4/h5-10,12H,18H2,1-4H3
InChIKeyCXHSACKUZCUAAY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.70
Rot. Bonds4

About 1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine

1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine (PubChem CID 82541809) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
PubChem CID82541809
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
SMILESCOc1ccc(C)cc1-c1cc(C(C)N)ccc1OC
InChIInChI=1S/C17H21NO2/c1-11-5-7-16(19-3)14(9-11)15-10-13(12(2)18)6-8-17(15)20-4/h5-10,12H,18H2,1-4H3
InChIKeyCXHSACKUZCUAAY-UHFFFAOYSA-N
XLogP3.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541808
1-[5-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethanamine
CID 82541817
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine
CID 82541770
1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine
CID 82540228
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1S)-1-(3-iodo-4-methoxyphenyl)ethanamine
CID 130647745
3-(2,5-dimethylphenyl)-4-methoxyaniline
CID 39247090
(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 30078360
5-(1-aminoethyl)-2-methoxybenzoic acid
CID 105448790

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine?
The IUPAC name of 1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine (CID 82541809) is 1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine is COc1ccc(C)cc1-c1cc(C(C)N)ccc1OC.
What is the InChIKey of 1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine?
The InChIKey is CXHSACKUZCUAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-5-7-16(19-3)14(9-11)15-10-13(12(2)18)6-8-17(15)20-4/h5-10,12H,18H2,1-4H3.
What are the key properties of 1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine?
1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine is sourced from PubChem (CID 82541809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).