3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline

C14H15N — CID 167255858

IUPAC3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline
SMILESC=C1C=C(c2ccc(N)cc2C)C=CC1
InChIInChI=1S/C14H15N/c1-10-4-3-5-12(8-10)14-7-6-13(15)9-11(14)2/h3,5-9H,1,4,15H2,2H3
InChIKeySKJNFEQBEFMYFC-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.48
Rot. Bonds1

About 3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline

3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline (PubChem CID 167255858) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline.

Molecular Properties

Compound Name3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline
PubChem CID167255858
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline
SMILESC=C1C=C(c2ccc(N)cc2C)C=CC1
InChIInChI=1S/C14H15N/c1-10-4-3-5-12(8-10)14-7-6-13(15)9-11(14)2/h3,5-9H,1,4,15H2,2H3
InChIKeySKJNFEQBEFMYFC-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.48
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

4-cyclohexa-1,3-dien-1-yl-3-methylaniline
CID 155394306
4-[2,6-di(propan-2-yl)phenyl]-3-methylaniline
CID 146198028
4-(4-amino-2-ethylphenyl)-3-methylaniline
CID 118326748
3-methyl-4-[2-methyl-4-(phosphanylamino)phenyl]aniline
CID 130415083
4-(2-bromophenyl)-3-methylaniline
CID 115503554
3-methyl-4-(3-methylthiophen-2-yl)aniline
CID 78973947
4-(1-aminoprop-2-enyl)-3-methylaniline
CID 55283470
1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene
CID 174023509
2-methylbenzene-1,4-diamine;sulfane
CID 174900310
3-(2,4-dimethylphenyl)-4-methylaniline
CID 63334523
4-[1-(4-amino-2-methylphenyl)ethyl]-3-methylaniline
CID 688047
4-[4-amino-2-(1-phenylethyl)phenyl]-3-methylaniline
CID 89362936

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline?
The IUPAC name of 3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline (CID 167255858) is 3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline.
What is the SMILES notation for 3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline?
The canonical SMILES for 3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline is C=C1C=C(c2ccc(N)cc2C)C=CC1.
What is the InChIKey of 3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline?
The InChIKey is SKJNFEQBEFMYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-10-4-3-5-12(8-10)14-7-6-13(15)9-11(14)2/h3,5-9H,1,4,15H2,2H3.
What are the key properties of 3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline?
3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline has a molecular weight of 197.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylidenecyclohexa-1,5-dien-1-yl)aniline is sourced from PubChem (CID 167255858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).