1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde

C15H17NO — CID 142770895

IUPAC1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde
SMILESCN(C)C1(C=O)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C15H17NO/c1-16(2)15(12-17)10-8-14(9-11-15)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyAERZJQWYXFICLH-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.53
Rot. Bonds3

About 1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde

1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 142770895) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde
PubChem CID142770895
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde
SMILESCN(C)C1(C=O)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C15H17NO/c1-16(2)15(12-17)10-8-14(9-11-15)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyAERZJQWYXFICLH-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
5-fluoro-5-methoxy-2-phenylcyclohexa-1,3-diene
CID 174457167
(1-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)methanol
CID 170991611
[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol
CID 68743501
CID 172735714
CID 172735714
palladium;4-phenylcyclohexa-2,4-diene-1,1-dicarboxylic acid
CID 174927454
1-amino-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 56924481
1-ethenoxy-4-phenylcyclohexa-2,4-dien-1-ol
CID 175013604
2-(1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)acetic acid
CID 170991718
4-[2-[2-(2-phenylphenyl)phenyl]phenyl]cyclohexa-2,4-diene-1,1-dicarbaldehyde
CID 171776171
1-amino-4-phenylcyclohexa-2,4-diene-1-sulfonic acid
CID 87891223
5-tert-butyl-5-chloro-2-phenylcyclohexa-1,3-diene
CID 175021722

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde (CID 142770895) is 1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde is CN(C)C1(C=O)C=CC(c2ccccc2)=CC1.
What is the InChIKey of 1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is AERZJQWYXFICLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16(2)15(12-17)10-8-14(9-11-15)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde?
1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 227.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-phenylcyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 142770895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).