1,2-diphenylcyclohexa-2,4-dien-1-amine

C18H17N — CID 141027674

IUPAC1,2-diphenylcyclohexa-2,4-dien-1-amine
SMILESNC1(c2ccccc2)CC=CC=C1c1ccccc1
InChIInChI=1S/C18H17N/c19-18(16-11-5-2-6-12-16)14-8-7-13-17(18)15-9-3-1-4-10-15/h1-13H,14,19H2
InChIKeyZUZSTMCEMWIPFF-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.88
Rot. Bonds2

About 1,2-diphenylcyclohexa-2,4-dien-1-amine

1,2-diphenylcyclohexa-2,4-dien-1-amine (PubChem CID 141027674) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 1,2-diphenylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1,2-diphenylcyclohexa-2,4-dien-1-amine
PubChem CID141027674
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name1,2-diphenylcyclohexa-2,4-dien-1-amine
SMILESNC1(c2ccccc2)CC=CC=C1c1ccccc1
InChIInChI=1S/C18H17N/c19-18(16-11-5-2-6-12-16)14-8-7-13-17(18)15-9-3-1-4-10-15/h1-13H,14,19H2
InChIKeyZUZSTMCEMWIPFF-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-iodo-2-phenylcyclohexa-2,4-dien-1-amine
CID 175287153
3-[(1R)-1-amino-2-phenylcyclohexa-2,4-dien-1-yl]propan-1-ol
CID 141425095
1-(methylamino)-2-phenylcyclohexa-2,4-dien-1-ol
CID 175545397
2-(1-hydroxy-2-phenylcyclohexa-2,4-dien-1-yl)phenol
CID 70208336
1-methyl-2-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 71317478
2-phenyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol
CID 175574219
6,6-diisocyanato-1-phenylcyclohexa-1,3-diene
CID 87061261
(1S)-1-phenylcyclohexa-2,4-dien-1-amine
CID 97049769
1-methoxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70161917
(1-methoxy-2-phenylcyclohexa-2,4-dien-1-yl)boronic acid
CID 68649281
(4S)-1,4-dimethyl-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
CID 134946237
[1-amino-2-(3-aminophenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 68786620

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1,2-diphenylcyclohexa-2,4-dien-1-amine (CID 141027674) is 1,2-diphenylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1,2-diphenylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1,2-diphenylcyclohexa-2,4-dien-1-amine is NC1(c2ccccc2)CC=CC=C1c1ccccc1.
What is the InChIKey of 1,2-diphenylcyclohexa-2,4-dien-1-amine?
The InChIKey is ZUZSTMCEMWIPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c19-18(16-11-5-2-6-12-16)14-8-7-13-17(18)15-9-3-1-4-10-15/h1-13H,14,19H2.
What are the key properties of 1,2-diphenylcyclohexa-2,4-dien-1-amine?
1,2-diphenylcyclohexa-2,4-dien-1-amine has a molecular weight of 247.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 141027674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).