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

C18H23N — CID 62595747

IUPAC1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23N/c1-12-7-13(2)9-16(8-12)11-18(19)17-6-5-14(3)15(4)10-17/h5-10,18H,11,19H2,1-4H3
InChIKeyVRQXNIVAFNTBFH-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.16
Rot. Bonds3

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

1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine (PubChem CID 62595747) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
PubChem CID62595747
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCc1cc(C)cc(CC(N)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23N/c1-12-7-13(2)9-16(8-12)11-18(19)17-6-5-14(3)15(4)10-17/h5-10,18H,11,19H2,1-4H3
InChIKeyVRQXNIVAFNTBFH-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

2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 55086765
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
1-(3,4-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 61079569
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115800677
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 63416604
1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62115577
2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanamine
CID 54911208
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374
1-(5-bromo-2-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800850
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine (CID 62595747) is 1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine is Cc1cc(C)cc(CC(N)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The InChIKey is VRQXNIVAFNTBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12-7-13(2)9-16(8-12)11-18(19)17-6-5-14(3)15(4)10-17/h5-10,18H,11,19H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine?
1-(3,4-dimethylphenyl)-2-(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-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 62595747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).