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

C18H23NO — CID 63641471

IUPAC1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
SMILESCc1ccc(C)c(COc2cc(C)ccc2C(C)N)c1
InChIInChI=1S/C18H23NO/c1-12-5-7-14(3)16(9-12)11-20-18-10-13(2)6-8-17(18)15(4)19/h5-10,15H,11,19H2,1-4H3
InChIKeyRIDDNTMQGAOAIU-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.21
Rot. Bonds4

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

1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine (PubChem CID 63641471) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
PubChem CID63641471
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
SMILESCc1ccc(C)c(COc2cc(C)ccc2C(C)N)c1
InChIInChI=1S/C18H23NO/c1-12-5-7-14(3)16(9-12)11-20-18-10-13(2)6-8-17(18)15(4)19/h5-10,15H,11,19H2,1-4H3
InChIKeyRIDDNTMQGAOAIU-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 102947145
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78946962
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63650101
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947419
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 104862274
(1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947233
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
(1S)-1-[4-methyl-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 78947153
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947366
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002762
(1S)-1-[4-bromo-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861964

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine?
The IUPAC name of 1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine (CID 63641471) is 1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine.
What is the SMILES notation for 1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine?
The canonical SMILES for 1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine is Cc1ccc(C)c(COc2cc(C)ccc2C(C)N)c1.
What is the InChIKey of 1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine?
The InChIKey is RIDDNTMQGAOAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-5-7-14(3)16(9-12)11-20-18-10-13(2)6-8-17(18)15(4)19/h5-10,15H,11,19H2,1-4H3.
What are the key properties of 1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine?
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine is sourced from PubChem (CID 63641471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).