ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline

C24H27N — CID 91295251

IUPACethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline
SMILESCC.CC=Cc1ccc(N(c2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C22H21N.C2H6/c1-3-9-19-14-16-21(17-15-19)23(20-11-5-4-6-12-20)22-13-8-7-10-18(22)2;1-2/h3-17H,1-2H3;1-2H3
InChIKeyQDVXYPVODGJWKA-UHFFFAOYSA-N
MW329.49 g/mol
LogP7.52
Rot. Bonds4

About ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline

ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline (PubChem CID 91295251) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline.

Molecular Properties

Compound Nameethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline
PubChem CID91295251
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Nameethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline
SMILESCC.CC=Cc1ccc(N(c2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C22H21N.C2H6/c1-3-9-19-14-16-21(17-15-19)23(20-11-5-4-6-12-20)22-13-8-7-10-18(22)2;1-2/h3-17H,1-2H3;1-2H3
InChIKeyQDVXYPVODGJWKA-UHFFFAOYSA-N
XLogP7.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 89074819
N-[4-(2-cyclohexa-1,5-dien-1-ylethenyl)phenyl]-2-methyl-N-phenylaniline;ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline
CID 90777522
N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline
CID 91106273
N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801
N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91294217
2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 59366113
N-[4-[2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylphenanthren-9-amine
CID 91078123
N-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(N-(2,6-dimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-phenylaniline
CID 11354736
9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89068124
2-methyl-4-[3-methyl-4-(N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]-N-phenyl-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 102298250
N-(2-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 89067942
N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 89074731

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline?
The IUPAC name of ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline (CID 91295251) is ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline.
What is the SMILES notation for ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline?
The canonical SMILES for ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline is CC.CC=Cc1ccc(N(c2ccccc2)c2ccccc2C)cc1.
What is the InChIKey of ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline?
The InChIKey is QDVXYPVODGJWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N.C2H6/c1-3-9-19-14-16-21(17-15-19)23(20-11-5-4-6-12-20)22-13-8-7-10-18(22)2;1-2/h3-17H,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline?
ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline has a molecular weight of 329.49 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline is sourced from PubChem (CID 91295251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).