1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine

C18H23NO — CID 82092954

IUPAC1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1ccc(COc2ccc(C(C)N)cc2C)c(C)c1
InChIInChI=1S/C18H23NO/c1-12-5-6-17(13(2)9-12)11-20-18-8-7-16(15(4)19)10-14(18)3/h5-10,15H,11,19H2,1-4H3
InChIKeyQAITVNBJEKPCAG-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.21
Rot. Bonds4

About 1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine

1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine (PubChem CID 82092954) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
PubChem CID82092954
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1ccc(COc2ccc(C(C)N)cc2C)c(C)c1
InChIInChI=1S/C18H23NO/c1-12-5-6-17(13(2)9-12)11-20-18-8-7-16(15(4)19)10-14(18)3/h5-10,15H,11,19H2,1-4H3
InChIKeyQAITVNBJEKPCAG-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

1-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 103046479
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
(1S)-1-[3-methyl-4-(2-methylpropoxy)phenyl]ethanamine
CID 89490025
(1S)-1-[3-methyl-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 113386918
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
1-[4-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 113436823
1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
CID 43189138
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanamine
CID 62156324
2-[(2,4-dimethylphenoxy)methyl]benzenethiol
CID 54329729
5-chloro-2-[(2,4-dimethylphenyl)methoxy]aniline
CID 82133164
1-[3-methyl-4-(2-methylpentoxy)phenyl]ethanamine
CID 113386781
1-[3-methyl-4-(2-propoxyethoxy)phenyl]ethanamine
CID 106450674

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine?
The IUPAC name of 1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine (CID 82092954) is 1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine.
What is the SMILES notation for 1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine?
The canonical SMILES for 1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine is Cc1ccc(COc2ccc(C(C)N)cc2C)c(C)c1.
What is the InChIKey of 1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine?
The InChIKey is QAITVNBJEKPCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-5-6-17(13(2)9-12)11-20-18-8-7-16(15(4)19)10-14(18)3/h5-10,15H,11,19H2,1-4H3.
What are the key properties of 1-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine?
1-[4-[(2,4-dimethylphenyl)methoxy]-3-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-[4-[(2,4-dimethylphenyl)methoxy]-3-methylphenyl]ethanamine is sourced from PubChem (CID 82092954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).