4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol

C22H25NO2 — CID 69278382

IUPAC4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol
SMILESCCOC1(N(Cc2ccccc2)Cc2ccccc2)C=CC(O)=CC1
InChIInChI=1S/C22H25NO2/c1-2-25-22(15-13-21(24)14-16-22)23(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-15,24H,2,16-18H2,1H3
InChIKeyBMEXHOINXKGJMH-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.82
Rot. Bonds7

About 4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol

4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol (PubChem CID 69278382) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol
PubChem CID69278382
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol
SMILESCCOC1(N(Cc2ccccc2)Cc2ccccc2)C=CC(O)=CC1
InChIInChI=1S/C22H25NO2/c1-2-25-22(15-13-21(24)14-16-22)23(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-15,24H,2,16-18H2,1H3
InChIKeyBMEXHOINXKGJMH-UHFFFAOYSA-N
XLogP4.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 67011254
2-benzyl-5-ethoxy-5-methylcyclohexa-1,3-diene
CID 163853467
ethyl 3-(dibenzylamino)-1-methylcyclopentane-1-carboxylate
CID 171699728
ethyl 4-(dibenzylamino)-1-methylcyclohexane-1-carboxylate
CID 171314830
ethyl 3-[benzyl(methyl)amino]-2-methylbutanoate
CID 162687102
1-ethoxy-4-phenylbicyclo[2.2.2]octane
CID 71328656
5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene
CID 139881236
diethyl 2-[[benzyl(methyl)amino]methyl]-2-formamidopropanedioate
CID 10735592
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol (CID 69278382) is 4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol is CCOC1(N(Cc2ccccc2)Cc2ccccc2)C=CC(O)=CC1.
What is the InChIKey of 4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol?
The InChIKey is BMEXHOINXKGJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-2-25-22(15-13-21(24)14-16-22)23(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-15,24H,2,16-18H2,1H3.
What are the key properties of 4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol?
4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol has a molecular weight of 335.45 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)-4-ethoxycyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 69278382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).