2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline

C16H17N — CID 143816071

IUPAC2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline
SMILESC=C(Nc1ccccc1C)c1cccc(C)c1
InChIInChI=1S/C16H17N/c1-12-7-6-9-15(11-12)14(3)17-16-10-5-4-8-13(16)2/h4-11,17H,3H2,1-2H3
InChIKeyMQDUCIAVSPUXTO-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.39
Rot. Bonds3

About 2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline

2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline (PubChem CID 143816071) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline
PubChem CID143816071
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline
SMILESC=C(Nc1ccccc1C)c1cccc(C)c1
InChIInChI=1S/C16H17N/c1-12-7-6-9-15(11-12)14(3)17-16-10-5-4-8-13(16)2/h4-11,17H,3H2,1-2H3
InChIKeyMQDUCIAVSPUXTO-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-methylphenyl)ethenyl]hydroxylamine
CID 142051233
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
1-(3-methylphenyl)ethenylhydrazine
CID 129060271
3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51148319
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027
3-methyl-N-[(1R)-2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]benzamide
CID 1106788
2-(2-methylanilino)prop-2-enoic acid
CID 67584217
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline
CID 59121257
ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide
CID 144655985
3-methyl-N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18906786

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline?
The IUPAC name of 2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline (CID 143816071) is 2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline.
What is the SMILES notation for 2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline?
The canonical SMILES for 2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline is C=C(Nc1ccccc1C)c1cccc(C)c1.
What is the InChIKey of 2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline?
The InChIKey is MQDUCIAVSPUXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-7-6-9-15(11-12)14(3)17-16-10-5-4-8-13(16)2/h4-11,17H,3H2,1-2H3.
What are the key properties of 2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline?
2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline has a molecular weight of 223.32 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methylphenyl)ethenyl]aniline is sourced from PubChem (CID 143816071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).