N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline

C17H19N — CID 6538430

IUPACN,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
SMILESCc1cccc(/C=C/c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H19N/c1-14-5-4-6-16(13-14)8-7-15-9-11-17(12-10-15)18(2)3/h4-13H,1-3H3/b8-7+
InChIKeyCPZSPZATVHUPBQ-BQYQJAHWSA-N
MW237.35 g/mol
LogP4.23
Rot. Bonds3

About N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline

N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline (PubChem CID 6538430) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
PubChem CID6538430
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC NameN,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline
SMILESCc1cccc(/C=C/c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H19N/c1-14-5-4-6-16(13-14)8-7-15-9-11-17(12-10-15)18(2)3/h4-13H,1-3H3/b8-7+
InChIKeyCPZSPZATVHUPBQ-BQYQJAHWSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
3-[4-(dimethylamino)phenyl]-1-phenylprop-2-en-1-one;3-(3-methylphenyl)-1-phenylprop-2-en-1-one
CID 67867669
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
1-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)prop-2-en-1-one
CID 54137742
4-[2-(3-methylphenyl)ethenyl]aniline
CID 59935146
1-fluoro-4-[2-(3-methylphenyl)ethenyl]benzene
CID 91179639
3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
CID 59938925
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 102133829
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-N-[3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 118136756

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline (CID 6538430) is N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline is Cc1cccc(/C=C/c2ccc(N(C)C)cc2)c1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline?
The InChIKey is CPZSPZATVHUPBQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H19N/c1-14-5-4-6-16(13-14)8-7-15-9-11-17(12-10-15)18(2)3/h4-13H,1-3H3/b8-7+.
What are the key properties of N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline?
N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline has a molecular weight of 237.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-2-(3-methylphenyl)ethenyl]aniline is sourced from PubChem (CID 6538430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).