N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline

C16H21NO — CID 163905978

IUPACN-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline
SMILESCOC1(C)C=CC(N(C)c2ccc(C)cc2)=CC1
InChIInChI=1S/C16H21NO/c1-13-5-7-14(8-6-13)17(3)15-9-11-16(2,18-4)12-10-15/h5-11H,12H2,1-4H3
InChIKeyQNYGWALIQOEQKZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.68
Rot. Bonds3

About N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline

N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline (PubChem CID 163905978) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline.

Molecular Properties

Compound NameN-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline
PubChem CID163905978
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline
SMILESCOC1(C)C=CC(N(C)c2ccc(C)cc2)=CC1
InChIInChI=1S/C16H21NO/c1-13-5-7-14(8-6-13)17(3)15-9-11-16(2,18-4)12-10-15/h5-11H,12H2,1-4H3
InChIKeyQNYGWALIQOEQKZ-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methoxyphenyl)aniline
CID 163637919
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]sulfanium
CID 148672487
N-[4-[4-(4-methoxy-N-[4-[4-[N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]anilino)phenyl]phenyl]-N-(4-methoxyphenyl)-4-methylaniline
CID 163678430
1-N-(4-tert-butyl-4-methylcyclohexa-1,5-dien-1-yl)-4-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 139302938
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
1-methyl-4-[N-methyl-4-(3-phenyl-N-(3-phenylphenyl)anilino)anilino]cyclohexa-2,4-diene-1-carbonitrile
CID 143684928
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-[4-(4,4-dimethylcyclohexyl)phenyl]-N,4-dimethylaniline
CID 138456770
N,2,3,4,5,6-hexamethyl-N-(4-methylphenyl)aniline
CID 134561307
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline?
The IUPAC name of N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline (CID 163905978) is N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline.
What is the SMILES notation for N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline?
The canonical SMILES for N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline is COC1(C)C=CC(N(C)c2ccc(C)cc2)=CC1.
What is the InChIKey of N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline?
The InChIKey is QNYGWALIQOEQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-13-5-7-14(8-6-13)17(3)15-9-11-16(2,18-4)12-10-15/h5-11H,12H2,1-4H3.
What are the key properties of N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline?
N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline has a molecular weight of 243.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)-N,4-dimethylaniline is sourced from PubChem (CID 163905978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).