4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline

C15H19NO2 — CID 166542453

IUPAC4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline
SMILESCOC1=CCC(N(C)c2ccc(OC)cc2)C=C1
InChIInChI=1S/C15H19NO2/c1-16(12-4-8-14(17-2)9-5-12)13-6-10-15(18-3)11-7-13/h4-6,8-11,13H,7H2,1-3H3
InChIKeySJPHOZYIVUMFLC-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.99
Rot. Bonds4

About 4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline

4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline (PubChem CID 166542453) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline
PubChem CID166542453
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline
SMILESCOC1=CCC(N(C)c2ccc(OC)cc2)C=C1
InChIInChI=1S/C15H19NO2/c1-16(12-4-8-14(17-2)9-5-12)13-6-10-15(18-3)11-7-13/h4-6,8-11,13H,7H2,1-3H3
InChIKeySJPHOZYIVUMFLC-UHFFFAOYSA-N
XLogP2.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxycyclohexa-1,3-diene
CID 13404344
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
N,N-bis(4-methoxyphenyl)-4-[(E)-2-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]aniline
CID 89020124
4-methoxy-N-methyl-N-[(4-methylcyclohexa-1,5-dien-1-yl)methylideneamino]aniline
CID 71179678
1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene
CID 167163425
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
1-(4-methoxyphenyl)-1,2,2-trimethylhydrazine
CID 130402433
2-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylethanamine
CID 130246395
1-[1-cyclohexyl-2,2-bis(4-methoxycyclohexa-2,4-dien-1-yl)ethenyl]-4-[1-cyclohexyl-2,2-bis(4-methoxyphenyl)ethenyl]benzene
CID 163414835
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
4-methoxycyclohexa-2,4-diene-1-sulfonamide
CID 146915691
4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257725

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline?
The IUPAC name of 4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline (CID 166542453) is 4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline.
What is the SMILES notation for 4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline?
The canonical SMILES for 4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline is COC1=CCC(N(C)c2ccc(OC)cc2)C=C1.
What is the InChIKey of 4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline?
The InChIKey is SJPHOZYIVUMFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-16(12-4-8-14(17-2)9-5-12)13-6-10-15(18-3)11-7-13/h4-6,8-11,13H,7H2,1-3H3.
What are the key properties of 4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline?
4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline has a molecular weight of 245.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylaniline is sourced from PubChem (CID 166542453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).