2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine

C16H19ClN2 — CID 115554643

IUPAC2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine
SMILESCCN(c1cccc(C)c1)c1cc(Cl)c(N)cc1C
InChIInChI=1S/C16H19ClN2/c1-4-19(13-7-5-6-11(2)8-13)16-10-14(17)15(18)9-12(16)3/h5-10H,4,18H2,1-3H3
InChIKeyNWIHFBRPOCXJRU-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.70
Rot. Bonds3

About 2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine

2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine (PubChem CID 115554643) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine
PubChem CID115554643
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine
SMILESCCN(c1cccc(C)c1)c1cc(Cl)c(N)cc1C
InChIInChI=1S/C16H19ClN2/c1-4-19(13-7-5-6-11(2)8-13)16-10-14(17)15(18)9-12(16)3/h5-10H,4,18H2,1-3H3
InChIKeyNWIHFBRPOCXJRU-UHFFFAOYSA-N
XLogP4.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-N,5-dimethyl-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 113334304
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780
4-chloro-2-(chloromethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 114846438
1-N-ethyl-1-N-(3-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63402660
2-(bromomethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 107080798
4-amino-3-(N-ethyl-3-methylanilino)benzamide
CID 63355886
3-amino-4-(N-ethyl-3-methylanilino)benzamide
CID 61076216
[5-chloro-2-(N-ethyl-3-methylanilino)phenyl]methanol
CID 114845295
2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol
CID 95473071
2-amino-3-(N-ethyl-3-methylanilino)benzonitrile
CID 104716397
4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747375
3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 102750483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine (CID 115554643) is 2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine is CCN(c1cccc(C)c1)c1cc(Cl)c(N)cc1C.
What is the InChIKey of 2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine?
The InChIKey is NWIHFBRPOCXJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-4-19(13-7-5-6-11(2)8-13)16-10-14(17)15(18)9-12(16)3/h5-10H,4,18H2,1-3H3.
What are the key properties of 2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine?
2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine has a molecular weight of 274.80 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-ethyl-5-methyl-4-N-(3-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 115554643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).