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

C19H19N — CID 59523962

IUPACN-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline
SMILESCC1=CCC(Nc2ccc(-c3ccccc3)cc2)C=C1
InChIInChI=1S/C19H19N/c1-15-7-11-18(12-8-15)20-19-13-9-17(10-14-19)16-5-3-2-4-6-16/h2-11,13-14,18,20H,12H2,1H3
InChIKeyLVQWBRZAYFJINU-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.04
Rot. Bonds3

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

N-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline (PubChem CID 59523962) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline.

Molecular Properties

Compound NameN-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline
PubChem CID59523962
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC NameN-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline
SMILESCC1=CCC(Nc2ccc(-c3ccccc3)cc2)C=C1
InChIInChI=1S/C19H19N/c1-15-7-11-18(12-8-15)20-19-13-9-17(10-14-19)16-5-3-2-4-6-16/h2-11,13-14,18,20H,12H2,1H3
InChIKeyLVQWBRZAYFJINU-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline?
The IUPAC name of N-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline (CID 59523962) is N-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline.
What is the SMILES notation for N-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline?
The canonical SMILES for N-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline is CC1=CCC(Nc2ccc(-c3ccccc3)cc2)C=C1.
What is the InChIKey of N-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline?
The InChIKey is LVQWBRZAYFJINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-15-7-11-18(12-8-15)20-19-13-9-17(10-14-19)16-5-3-2-4-6-16/h2-11,13-14,18,20H,12H2,1H3.
What are the key properties of N-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline?
N-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline has a molecular weight of 261.37 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline is sourced from PubChem (CID 59523962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).