3-(3-amino-2-methylphenyl)-2-methylaniline

C14H16N2 — CID 15336123

IUPAC3-(3-amino-2-methylphenyl)-2-methylaniline
SMILESCc1c(N)cccc1-c1cccc(N)c1C
InChIInChI=1S/C14H16N2/c1-9-11(5-3-7-13(9)15)12-6-4-8-14(16)10(12)2/h3-8H,15-16H2,1-2H3
InChIKeyUSZDIDKMNBWRLR-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.13
Rot. Bonds1

About 3-(3-amino-2-methylphenyl)-2-methylaniline

3-(3-amino-2-methylphenyl)-2-methylaniline (PubChem CID 15336123) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-(3-amino-2-methylphenyl)-2-methylaniline.

Molecular Properties

Compound Name3-(3-amino-2-methylphenyl)-2-methylaniline
PubChem CID15336123
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3-(3-amino-2-methylphenyl)-2-methylaniline
SMILESCc1c(N)cccc1-c1cccc(N)c1C
InChIInChI=1S/C14H16N2/c1-9-11(5-3-7-13(9)15)12-6-4-8-14(16)10(12)2/h3-8H,15-16H2,1-2H3
InChIKeyUSZDIDKMNBWRLR-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

2-methyl-3-phenylaniline
CID 10511683
3-(2-amino-5-methylphenyl)-2-methylaniline
CID 68787486
3-(3,5-dimethylphenyl)-2-methylaniline
CID 107626341
3-[2-[[2-(3-amino-2-methylphenyl)phenyl]methoxymethyl]phenyl]-2-methylaniline
CID 70601363
3-(2,5-difluorophenyl)-2-methylaniline
CID 107626523
3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline
CID 107627174
2-methyl-3-(2-propan-2-yloxyphenyl)aniline
CID 107626705
2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline
CID 141108948
2,3-dimethylaniline;ethane
CID 142025904
3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
CID 107626878
3-(1-ethyl-5-methylpyrazol-4-yl)-2-methylaniline
CID 107627213
3-(cyclopenten-1-yl)-2-methylaniline
CID 130534955

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylphenyl)-2-methylaniline?
The IUPAC name of 3-(3-amino-2-methylphenyl)-2-methylaniline (CID 15336123) is 3-(3-amino-2-methylphenyl)-2-methylaniline.
What is the SMILES notation for 3-(3-amino-2-methylphenyl)-2-methylaniline?
The canonical SMILES for 3-(3-amino-2-methylphenyl)-2-methylaniline is Cc1c(N)cccc1-c1cccc(N)c1C.
What is the InChIKey of 3-(3-amino-2-methylphenyl)-2-methylaniline?
The InChIKey is USZDIDKMNBWRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-9-11(5-3-7-13(9)15)12-6-4-8-14(16)10(12)2/h3-8H,15-16H2,1-2H3.
What are the key properties of 3-(3-amino-2-methylphenyl)-2-methylaniline?
3-(3-amino-2-methylphenyl)-2-methylaniline 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-(3-amino-2-methylphenyl)-2-methylaniline is sourced from PubChem (CID 15336123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).