N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline

C16H16ClN — CID 138651987

IUPACN-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline
SMILESC=C(Nc1ccc(C)cc1)c1cc(C)ccc1Cl
InChIInChI=1S/C16H16ClN/c1-11-4-7-14(8-5-11)18-13(3)15-10-12(2)6-9-16(15)17/h4-10,18H,3H2,1-2H3
InChIKeyZRNYRKMNYFXNPR-UHFFFAOYSA-N
MW257.76 g/mol
LogP5.04
Rot. Bonds3

About N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline

N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline (PubChem CID 138651987) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline.

Molecular Properties

Compound NameN-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline
PubChem CID138651987
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC NameN-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline
SMILESC=C(Nc1ccc(C)cc1)c1cc(C)ccc1Cl
InChIInChI=1S/C16H16ClN/c1-11-4-7-14(8-5-11)18-13(3)15-10-12(2)6-9-16(15)17/h4-10,18H,3H2,1-2H3
InChIKeyZRNYRKMNYFXNPR-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.76
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile
CID 138653459
[4-[1-(2-chloro-5-methylphenyl)ethenylamino]-3-methylphenyl]cyanamide
CID 138653560
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
N-[1-[4-(4-chlorobutyl)-2-methylphenyl]ethenyl]-4-methylaniline
CID 142207095
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
N-[1-(2-chlorophenyl)ethenyl]aniline
CID 155122535
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-N-[1-(2,5-dimethylphenyl)ethenyl]-4-N,2-dimethylbenzene-1,4-diamine
CID 170143684
N-buta-1,3-dien-2-yl-4-methylaniline
CID 143234839
1-N-[1-[2-chloro-5-(methylamino)phenyl]ethenyl]-2-methylbenzene-1,4-diamine
CID 138653541
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761
2-(3,4-dichloroanilino)-5-methylbenzenecarbothioamide
CID 107928397

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline?
The IUPAC name of N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline (CID 138651987) is N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline.
What is the SMILES notation for N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline?
The canonical SMILES for N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline is C=C(Nc1ccc(C)cc1)c1cc(C)ccc1Cl.
What is the InChIKey of N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline?
The InChIKey is ZRNYRKMNYFXNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c1-11-4-7-14(8-5-11)18-13(3)15-10-12(2)6-9-16(15)17/h4-10,18H,3H2,1-2H3.
What are the key properties of N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline?
N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline has a molecular weight of 257.76 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline is sourced from PubChem (CID 138651987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).