3-(4-aminophenyl)-2,5-dimethylaniline

C14H16N2 — CID 68786442

IUPAC3-(4-aminophenyl)-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(-c2ccc(N)cc2)c1
InChIInChI=1S/C14H16N2/c1-9-7-13(10(2)14(16)8-9)11-3-5-12(15)6-4-11/h3-8H,15-16H2,1-2H3
InChIKeyYZATWIWWWMTUIS-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.13
Rot. Bonds1

About 3-(4-aminophenyl)-2,5-dimethylaniline

3-(4-aminophenyl)-2,5-dimethylaniline (PubChem CID 68786442) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-(4-aminophenyl)-2,5-dimethylaniline.

Molecular Properties

Compound Name3-(4-aminophenyl)-2,5-dimethylaniline
PubChem CID68786442
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3-(4-aminophenyl)-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(-c2ccc(N)cc2)c1
InChIInChI=1S/C14H16N2/c1-9-7-13(10(2)14(16)8-9)11-3-5-12(15)6-4-11/h3-8H,15-16H2,1-2H3
InChIKeyYZATWIWWWMTUIS-UHFFFAOYSA-N
XLogP3.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-difluorophenyl)-2,5-dimethylaniline
CID 165494668
2,5-dimethyl-3-(3-methylphenyl)aniline
CID 165494667
4-methyl-5-phenylbenzene-1,3-diamine
CID 19849980
3-(3,5-dimethylphenyl)-2-methylaniline
CID 107626341
2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline
CID 165494673
ethane;4-(4-methylphenyl)aniline
CID 142892908
4-methylaniline;trihydrofluoride
CID 70169513
4-methylaniline trifluoride
CID 22627679
3-(4-aminophenyl)-2-methyl-6,7-dioxabicyclo[3.2.1]octa-1,3,5(8)-trien-8-amine
CID 141013280
ethane;4-methylaniline;molecular hydrogen;hydrate
CID 144555420
CID 173375065
CID 173375065
4-amino-2-(4-methylphenyl)phenol
CID 22256169

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-2,5-dimethylaniline?
The IUPAC name of 3-(4-aminophenyl)-2,5-dimethylaniline (CID 68786442) is 3-(4-aminophenyl)-2,5-dimethylaniline.
What is the SMILES notation for 3-(4-aminophenyl)-2,5-dimethylaniline?
The canonical SMILES for 3-(4-aminophenyl)-2,5-dimethylaniline is Cc1cc(N)c(C)c(-c2ccc(N)cc2)c1.
What is the InChIKey of 3-(4-aminophenyl)-2,5-dimethylaniline?
The InChIKey is YZATWIWWWMTUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-9-7-13(10(2)14(16)8-9)11-3-5-12(15)6-4-11/h3-8H,15-16H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)-2,5-dimethylaniline?
3-(4-aminophenyl)-2,5-dimethylaniline has a molecular weight of 212.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-2,5-dimethylaniline is sourced from PubChem (CID 68786442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).