2-methyl-N-[1-(4-methylphenyl)ethyl]aniline

C16H19N — CID 43196651

IUPAC2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccccc2C)cc1
InChIInChI=1S/C16H19N/c1-12-8-10-15(11-9-12)14(3)17-16-7-5-4-6-13(16)2/h4-11,14,17H,1-3H3
InChIKeyAVVJHPIUYZOURK-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.48
Rot. Bonds3

About 2-methyl-N-[1-(4-methylphenyl)ethyl]aniline

2-methyl-N-[1-(4-methylphenyl)ethyl]aniline (PubChem CID 43196651) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
PubChem CID43196651
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2ccccc2C)cc1
InChIInChI=1S/C16H19N/c1-12-8-10-15(11-9-12)14(3)17-16-7-5-4-6-13(16)2/h4-11,14,17H,1-3H3
InChIKeyAVVJHPIUYZOURK-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43196698
2-methyl-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43109686
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
methyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322026
2-methyl-N-[1-(4-methylphenyl)ethyl]quinolin-4-amine
CID 63541977
N-[1-(4-methylphenyl)ethyl]-2-prop-2-enylsulfanylaniline
CID 63448738
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43110111
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline
CID 102976765
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol
CID 106953903
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030
ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The IUPAC name of 2-methyl-N-[1-(4-methylphenyl)ethyl]aniline (CID 43196651) is 2-methyl-N-[1-(4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[1-(4-methylphenyl)ethyl]aniline is Cc1ccc(C(C)Nc2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The InChIKey is AVVJHPIUYZOURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12-8-10-15(11-9-12)14(3)17-16-7-5-4-6-13(16)2/h4-11,14,17H,1-3H3.
What are the key properties of 2-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline has a molecular weight of 225.34 g/mol, XLogP of 4.48, 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-(4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43196651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).