2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline

C19H25N — CID 43104045

IUPAC2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
SMILESCc1ccc(NC(C)c2cc(C)c(C)cc2C)c(C)c1
InChIInChI=1S/C19H25N/c1-12-7-8-19(16(5)9-12)20-17(6)18-11-14(3)13(2)10-15(18)4/h7-11,17,20H,1-6H3
InChIKeyKXRVQWRFWJNAIJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.40
Rot. Bonds3

About 2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline

2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline (PubChem CID 43104045) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
PubChem CID43104045
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
SMILESCc1ccc(NC(C)c2cc(C)c(C)cc2C)c(C)c1
InChIInChI=1S/C19H25N/c1-12-7-8-19(16(5)9-12)20-17(6)18-11-14(3)13(2)10-15(18)4/h7-11,17,20H,1-6H3
InChIKeyKXRVQWRFWJNAIJ-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43110111
2,4-dimethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43189781
3-[1-(2,4-dimethylphenyl)ethylamino]-2,6-dimethylphenol
CID 43741839
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43124682
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030
N-[1-(2,5-dimethylphenyl)ethyl]-2-fluoro-4-methylaniline
CID 43114183
N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline
CID 43191590
2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43105982
4-[1-(2,5-dimethylphenyl)ethylamino]-3-methylbenzamide
CID 43706737
2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluoroaniline
CID 43119372
N-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylaniline
CID 43094302

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline (CID 43104045) is 2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline is Cc1ccc(NC(C)c2cc(C)c(C)cc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The InChIKey is KXRVQWRFWJNAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-12-7-8-19(16(5)9-12)20-17(6)18-11-14(3)13(2)10-15(18)4/h7-11,17,20H,1-6H3.
What are the key properties of 2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline has a molecular weight of 267.42 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline is sourced from PubChem (CID 43104045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).