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

C18H23N — CID 62538026

IUPAC1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(CC(N)c2cccc(C)c2C)c1
InChIInChI=1S/C18H23N/c1-12-8-9-14(3)16(10-12)11-18(19)17-7-5-6-13(2)15(17)4/h5-10,18H,11,19H2,1-4H3
InChIKeyWGQGGEPGMSMVOX-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.16
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine (PubChem CID 62538026) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine
PubChem CID62538026
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(CC(N)c2cccc(C)c2C)c1
InChIInChI=1S/C18H23N/c1-12-8-9-14(3)16(10-12)11-18(19)17-7-5-6-13(2)15(17)4/h5-10,18H,11,19H2,1-4H3
InChIKeyWGQGGEPGMSMVOX-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-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377287
1-(3-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 64713976
1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538146
1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106866364
1-(2,4-difluoro-5-methylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 79724685
1-(2-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826307
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethylphenyl)ethanamine
CID 115843287
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 114559956
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 105032399
2-(2,5-dimethylphenyl)-1-naphthalen-2-ylethanamine
CID 63416579
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine (CID 62538026) is 1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(CC(N)c2cccc(C)c2C)c1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine?
The InChIKey is WGQGGEPGMSMVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12-8-9-14(3)16(10-12)11-18(19)17-7-5-6-13(2)15(17)4/h5-10,18H,11,19H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine?
1-(2,3-dimethylphenyl)-2-(2,5-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 1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 62538026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).