1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

C20H27N — CID 18767185

IUPAC1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H27N/c1-13-7-8-19(15(3)9-13)18(6)21-12-20-16(4)10-14(2)11-17(20)5/h7-11,18,21H,12H2,1-6H3
InChIKeyVEZDZMPYCIFCQW-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.08
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 18767185) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID18767185
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H27N/c1-13-7-8-19(15(3)9-13)18(6)21-12-20-16(4)10-14(2)11-17(20)5/h7-11,18,21H,12H2,1-6H3
InChIKeyVEZDZMPYCIFCQW-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449103
4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
CID 43108017
1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60945720
1-(2-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 22483271
1-(2,4-dimethylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399400
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 81436820
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 43185231
1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780969
1-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285816
1-(2,4-dimethylphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62472782
1-(2,4-dimethylphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43206318

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (CID 18767185) is 1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is Cc1ccc(C(C)NCc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is VEZDZMPYCIFCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-13-7-8-19(15(3)9-13)18(6)21-12-20-16(4)10-14(2)11-17(20)5/h7-11,18,21H,12H2,1-6H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 281.44 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 18767185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).