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

C16H19N — CID 86084630

IUPAC4-methyl-2-[1-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)c2cc(C)ccc2N)cc1
InChIInChI=1S/C16H19N/c1-11-4-7-14(8-5-11)13(3)15-10-12(2)6-9-16(15)17/h4-10,13H,17H2,1-3H3
InChIKeyQKMQUVWSZDRROY-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.04
Rot. Bonds2

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

4-methyl-2-[1-(4-methylphenyl)ethyl]aniline (PubChem CID 86084630) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-methyl-2-[1-(4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-methyl-2-[1-(4-methylphenyl)ethyl]aniline
PubChem CID86084630
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name4-methyl-2-[1-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)c2cc(C)ccc2N)cc1
InChIInChI=1S/C16H19N/c1-11-4-7-14(8-5-11)13(3)15-10-12(2)6-9-16(15)17/h4-10,13H,17H2,1-3H3
InChIKeyQKMQUVWSZDRROY-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-methylaniline
CID 131862398
(2-amino-5-methylphenyl)-(4-methylphenyl)methanol
CID 105484727
4-methyl-2-[1-(4-methylphenyl)ethyl]phenol
CID 46930570
4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
CID 162252807
2,4-dimethylaniline;4-propan-2-ylaniline
CID 158951075
2-[1-[4-[4-[4-[4-[1-(2-amino-4-methylphenyl)ethyl]phenyl]sulfanylphenoxy]phenyl]sulfanylphenyl]ethyl]-5-methylaniline
CID 139795140
2-[amino(cyclopropyl)methyl]-4-methylaniline
CID 55282362
4-methyl-2-(1-phenylethyl)benzenethiol
CID 24822888
1-(2-amino-5-methylphenyl)butan-1-ol
CID 112541135
[4-[1-[4-[4-[1-(2-amino-4-methylphenyl)ethyl]benzoyl]phenyl]propyl]phenyl]-[4-[1-(2-amino-4-methylphenyl)ethyl]phenyl]methanone
CID 139795139
ethane;5-methyl-2-propan-2-ylaniline
CID 142850696
3-[(2-amino-5-methylphenyl)-hydroxymethyl]phenol
CID 105486551

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(4-methylphenyl)ethyl]aniline?
The IUPAC name of 4-methyl-2-[1-(4-methylphenyl)ethyl]aniline (CID 86084630) is 4-methyl-2-[1-(4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 4-methyl-2-[1-(4-methylphenyl)ethyl]aniline?
The canonical SMILES for 4-methyl-2-[1-(4-methylphenyl)ethyl]aniline is Cc1ccc(C(C)c2cc(C)ccc2N)cc1.
What is the InChIKey of 4-methyl-2-[1-(4-methylphenyl)ethyl]aniline?
The InChIKey is QKMQUVWSZDRROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-11-4-7-14(8-5-11)13(3)15-10-12(2)6-9-16(15)17/h4-10,13H,17H2,1-3H3.
What are the key properties of 4-methyl-2-[1-(4-methylphenyl)ethyl]aniline?
4-methyl-2-[1-(4-methylphenyl)ethyl]aniline has a molecular weight of 225.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 86084630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).