2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine

C18H23N — CID 55086765

IUPAC2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23N/c1-12-7-13(2)9-17(8-12)18(19)11-16-6-5-14(3)15(4)10-16/h5-10,18H,11,19H2,1-4H3
InChIKeyOMSXJQSOVWOFIL-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.16
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine

2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine (PubChem CID 55086765) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine
PubChem CID55086765
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(C(N)Cc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23N/c1-12-7-13(2)9-17(8-12)18(19)11-16-6-5-14(3)15(4)10-16/h5-10,18H,11,19H2,1-4H3
InChIKeyOMSXJQSOVWOFIL-UHFFFAOYSA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
2-(3,4-dimethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 63522355
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
2-(3,4-dimethylphenyl)-1-[4-(2-methoxyethyl)phenyl]ethanamine
CID 62553299
2-(3,4-dimethylphenyl)-1-(3-propylphenyl)ethanamine
CID 116544264
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
1-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396021
1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538146
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 107885041

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine (CID 55086765) is 2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(C(N)Cc2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine?
The InChIKey is OMSXJQSOVWOFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12-7-13(2)9-17(8-12)18(19)11-16-6-5-14(3)15(4)10-16/h5-10,18H,11,19H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine?
2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 55086765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).