N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline

C14H17N — CID 139546752

IUPACN-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline
SMILESCNc1ccccc1C1=C(C)C=CCC1
InChIInChI=1S/C14H17N/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)15-2/h3,5-7,9-10,15H,4,8H2,1-2H3
InChIKeyQBSSDYPFMRZNJR-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.85
Rot. Bonds2

About N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline

N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline (PubChem CID 139546752) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline.

Molecular Properties

Compound NameN-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline
PubChem CID139546752
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC NameN-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline
SMILESCNc1ccccc1C1=C(C)C=CCC1
InChIInChI=1S/C14H17N/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)15-2/h3,5-7,9-10,15H,4,8H2,1-2H3
InChIKeyQBSSDYPFMRZNJR-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline?
The IUPAC name of N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline (CID 139546752) is N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline.
What is the SMILES notation for N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline?
The canonical SMILES for N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline is CNc1ccccc1C1=C(C)C=CCC1.
What is the InChIKey of N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline?
The InChIKey is QBSSDYPFMRZNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-11-7-3-4-8-12(11)13-9-5-6-10-14(13)15-2/h3,5-7,9-10,15H,4,8H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline?
N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline has a molecular weight of 199.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylcyclohexa-1,3-dien-1-yl)aniline is sourced from PubChem (CID 139546752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).