N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline

C19H19N — CID 70954044

IUPACN-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline
SMILESCC1(N(c2ccccc2)c2ccccc2)C=CC=CC1
InChIInChI=1S/C19H19N/c1-19(15-9-4-10-16-19)20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-15H,16H2,1H3
InChIKeyJIXMRHNALKJVCH-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.10
Rot. Bonds3

About N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline

N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline (PubChem CID 70954044) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline.

Molecular Properties

Compound NameN-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline
PubChem CID70954044
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC NameN-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline
SMILESCC1(N(c2ccccc2)c2ccccc2)C=CC=CC1
InChIInChI=1S/C19H19N/c1-19(15-9-4-10-16-19)20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-15H,16H2,1H3
InChIKeyJIXMRHNALKJVCH-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline?
The IUPAC name of N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline (CID 70954044) is N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline.
What is the SMILES notation for N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline?
The canonical SMILES for N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline is CC1(N(c2ccccc2)c2ccccc2)C=CC=CC1.
What is the InChIKey of N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline?
The InChIKey is JIXMRHNALKJVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-19(15-9-4-10-16-19)20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-15H,16H2,1H3.
What are the key properties of N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline?
N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline has a molecular weight of 261.37 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline is sourced from PubChem (CID 70954044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).