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

C18H23N — CID 55096005

IUPAC1,2-bis(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H23N/c1-12-5-13(2)8-16(7-12)11-18(19)17-9-14(3)6-15(4)10-17/h5-10,18H,11,19H2,1-4H3
InChIKeyLLGUPJPPMKPUBQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.16
Rot. Bonds3

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

1,2-bis(3,5-dimethylphenyl)ethanamine (PubChem CID 55096005) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1,2-bis(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1,2-bis(3,5-dimethylphenyl)ethanamine
PubChem CID55096005
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1,2-bis(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H23N/c1-12-5-13(2)8-16(7-12)11-18(19)17-9-14(3)6-15(4)10-17/h5-10,18H,11,19H2,1-4H3
InChIKeyLLGUPJPPMKPUBQ-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-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 55086765
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 62595747
2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine
CID 54911208
2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 105015396
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115800677
2-(3,5-dimethylphenyl)-1-thiophen-3-ylethanamine
CID 61028896
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374
2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 113460856
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
CID 175315928

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 1,2-bis(3,5-dimethylphenyl)ethanamine (CID 55096005) is 1,2-bis(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1,2-bis(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1,2-bis(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(CC(N)c2cc(C)cc(C)c2)c1.
What is the InChIKey of 1,2-bis(3,5-dimethylphenyl)ethanamine?
The InChIKey is LLGUPJPPMKPUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12-5-13(2)8-16(7-12)11-18(19)17-9-14(3)6-15(4)10-17/h5-10,18H,11,19H2,1-4H3.
What are the key properties of 1,2-bis(3,5-dimethylphenyl)ethanamine?
1,2-bis(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 1,2-bis(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 55096005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).