2-methyl-5-[2-(3-methylphenyl)ethyl]aniline

C16H19N — CID 143291717

IUPAC2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
SMILESCc1cccc(CCc2ccc(C)c(N)c2)c1
InChIInChI=1S/C16H19N/c1-12-4-3-5-14(10-12)8-9-15-7-6-13(2)16(17)11-15/h3-7,10-11H,8-9,17H2,1-2H3
InChIKeyQUCKCFLMVGVAGP-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.67
Rot. Bonds3

About 2-methyl-5-[2-(3-methylphenyl)ethyl]aniline

2-methyl-5-[2-(3-methylphenyl)ethyl]aniline (PubChem CID 143291717) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-methyl-5-[2-(3-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
PubChem CID143291717
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
SMILESCc1cccc(CCc2ccc(C)c(N)c2)c1
InChIInChI=1S/C16H19N/c1-12-4-3-5-14(10-12)8-9-15-7-6-13(2)16(17)11-15/h3-7,10-11H,8-9,17H2,1-2H3
InChIKeyQUCKCFLMVGVAGP-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.67
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

5-(2-aminoethyl)-2-methylaniline
CID 58409288
N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 62058474
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836
2,4-dimethyl-1-[2-(3-methylphenyl)ethyl]benzene
CID 165145096
4-[2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 56992770
4-methyl-3-[2-(3-methylphenyl)ethyl]-1,2-oxazol-5-amine
CID 62365708
2-[2-(3-methylphenyl)ethyl]pyridin-3-amine
CID 112716961
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
3-(3-methylphenyl)propan-1-amine
CID 12666388
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(3-methylphenyl)ethyl]aniline?
The IUPAC name of 2-methyl-5-[2-(3-methylphenyl)ethyl]aniline (CID 143291717) is 2-methyl-5-[2-(3-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2-methyl-5-[2-(3-methylphenyl)ethyl]aniline?
The canonical SMILES for 2-methyl-5-[2-(3-methylphenyl)ethyl]aniline is Cc1cccc(CCc2ccc(C)c(N)c2)c1.
What is the InChIKey of 2-methyl-5-[2-(3-methylphenyl)ethyl]aniline?
The InChIKey is QUCKCFLMVGVAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12-4-3-5-14(10-12)8-9-15-7-6-13(2)16(17)11-15/h3-7,10-11H,8-9,17H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(3-methylphenyl)ethyl]aniline?
2-methyl-5-[2-(3-methylphenyl)ethyl]aniline has a molecular weight of 225.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(3-methylphenyl)ethyl]aniline is sourced from PubChem (CID 143291717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).