ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline

C16H23N — CID 144542686

IUPACethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
SMILESCC.CC1=CC=C(Nc2ccc(C)cc2)CC1
InChIInChI=1S/C14H17N.C2H6/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-2/h3-5,7-9,15H,6,10H2,1-2H3;1-2H3
InChIKeyUHORJWQVCVBVTE-UHFFFAOYSA-N
MW229.37 g/mol
LogP5.06
Rot. Bonds2

About ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline

ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline (PubChem CID 144542686) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline.

Molecular Properties

Compound Nameethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
PubChem CID144542686
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Nameethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
SMILESCC.CC1=CC=C(Nc2ccc(C)cc2)CC1
InChIInChI=1S/C14H17N.C2H6/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-2/h3-5,7-9,15H,6,10H2,1-2H3;1-2H3
InChIKeyUHORJWQVCVBVTE-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 153344986
4-methyl-N-[4-[1-methyl-5-[4-[(4-methylcyclohexa-1,3-dien-1-yl)amino]phenyl]pyrrol-2-yl]phenyl]aniline
CID 154692023
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
1-(4-methylanilino)-4-[(4-methylcyclohexa-1,3-dien-1-yl)amino]anthracene-9,10-dione
CID 144649233
ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 91075726
ethane;N-(4-methylcyclohexa-1,3-dien-1-yl)methanesulfinamide
CID 163229347
N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine
CID 143015528
3-(4-methylanilino)-2H-thiophen-5-one
CID 54440865
N,4-dimethylaniline;ethane
CID 90758225
methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
CID 143782226
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958
N-(4-methylphenyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 2443140

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline?
The IUPAC name of ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline (CID 144542686) is ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline.
What is the SMILES notation for ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline?
The canonical SMILES for ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline is CC.CC1=CC=C(Nc2ccc(C)cc2)CC1.
What is the InChIKey of ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline?
The InChIKey is UHORJWQVCVBVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C2H6/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-2/h3-5,7-9,15H,6,10H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline?
ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline has a molecular weight of 229.37 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline is sourced from PubChem (CID 144542686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).