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

C18H23N — CID 43110111

IUPAC2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2ccccc2C)cc1C
InChIInChI=1S/C18H23N/c1-12-8-6-7-9-18(12)19-16(5)17-11-14(3)13(2)10-15(17)4/h6-11,16,19H,1-5H3
InChIKeyKKCWXDDQCVKFCN-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.09
Rot. Bonds3

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

2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline (PubChem CID 43110111) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
PubChem CID43110111
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2ccccc2C)cc1C
InChIInChI=1S/C18H23N/c1-12-8-6-7-9-18(12)19-16(5)17-11-14(3)13(2)10-15(17)4/h6-11,16,19H,1-5H3
InChIKeyKKCWXDDQCVKFCN-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43124682
2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile
CID 43110526
2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43104045
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylaniline
CID 43766137
2-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 43103327
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-methylaniline
CID 43766127
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43196651
2-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
CID 115975791
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
(1S)-1-(2-bromophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81379135
[(1S)-1-(2,4,5-trimethylphenyl)ethyl]hydrazine
CID 96656268
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline
CID 102976765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The IUPAC name of 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline (CID 43110111) is 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline is Cc1cc(C)c(C(C)Nc2ccccc2C)cc1C.
What is the InChIKey of 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The InChIKey is KKCWXDDQCVKFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12-8-6-7-9-18(12)19-16(5)17-11-14(3)13(2)10-15(17)4/h6-11,16,19H,1-5H3.
What are the key properties of 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline has a molecular weight of 253.39 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline is sourced from PubChem (CID 43110111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).