4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine

C14H18N2O2 — CID 151570595

IUPAC4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine
SMILESCOC1C=C(c2ccc(N)cc2)C=CC1(N)OC
InChIInChI=1S/C14H18N2O2/c1-17-13-9-11(7-8-14(13,16)18-2)10-3-5-12(15)6-4-10/h3-9,13H,15-16H2,1-2H3
InChIKeyQEJBFRVZOKRORJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.54
Rot. Bonds3

About 4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine

4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine (PubChem CID 151570595) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine
PubChem CID151570595
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine
SMILESCOC1C=C(c2ccc(N)cc2)C=CC1(N)OC
InChIInChI=1S/C14H18N2O2/c1-17-13-9-11(7-8-14(13,16)18-2)10-3-5-12(15)6-4-10/h3-9,13H,15-16H2,1-2H3
InChIKeyQEJBFRVZOKRORJ-UHFFFAOYSA-N
XLogP1.54
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)cyclohexa-3,5-diene-1,1,2-triamine
CID 69280417
4-(4-amino-4-fluorocyclohexa-1,5-dien-1-yl)aniline
CID 152526557
4-(4-amino-4-fluorocyclohexa-1,5-dien-1-yl)aniline;hydrochloride
CID 172857422
6-bromo-1-methoxy-4-phenylcyclohexa-2,4-dien-1-ol
CID 142666137
4-[4-amino-4-(azetidin-3-yl)cyclohexa-1,5-dien-1-yl]aniline
CID 162087611
4-(4-aminophenyl)aniline;chloromethane
CID 174340925
2-fluoro-6-(6-methoxy-1-methyl-4-phenylcyclohexa-2,4-dien-1-yl)oxypyridine
CID 69047686
4-[1-(4-aminophenoxy)-6,6-ditert-butyl-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline
CID 19025154
4-(4-amino-4-phenoxycyclohexa-1,5-dien-1-yl)aniline
CID 152565245
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline
CID 97303996
4-(4-amino-4-piperidin-4-ylcyclohexa-1,5-dien-1-yl)aniline
CID 158841519

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine (CID 151570595) is 4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine is COC1C=C(c2ccc(N)cc2)C=CC1(N)OC.
What is the InChIKey of 4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine?
The InChIKey is QEJBFRVZOKRORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-13-9-11(7-8-14(13,16)18-2)10-3-5-12(15)6-4-10/h3-9,13H,15-16H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine?
4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine has a molecular weight of 246.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-1,6-dimethoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 151570595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).