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

C16H19ClN2 — CID 115554734

IUPAC2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine
SMILESCc1ccc(C(C)Nc2cc(Cl)c(N)cc2C)cc1
InChIInChI=1S/C16H19ClN2/c1-10-4-6-13(7-5-10)12(3)19-16-9-14(17)15(18)8-11(16)2/h4-9,12,19H,18H2,1-3H3
InChIKeyQTSUIDACSGKDEK-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.71
Rot. Bonds3

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

2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine (PubChem CID 115554734) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine
PubChem CID115554734
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine
SMILESCc1ccc(C(C)Nc2cc(Cl)c(N)cc2C)cc1
InChIInChI=1S/C16H19ClN2/c1-10-4-6-13(7-5-10)12(3)19-16-9-14(17)15(18)8-11(16)2/h4-9,12,19H,18H2,1-3H3
InChIKeyQTSUIDACSGKDEK-UHFFFAOYSA-N
XLogP4.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.71
H-Bond Donors ≤ 52
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-[1-(2,4-dichlorophenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 115554408
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol
CID 106953903
4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 103590140
4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43716780
2-chloro-4-N,5-dimethylbenzene-1,4-diamine
CID 79006794
2-chloro-5-methyl-4-N-(3-methylbutyl)benzene-1,4-diamine
CID 115554438
2-chloro-4-N-hexan-2-yl-5-methylbenzene-1,4-diamine
CID 115554851
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43196651
4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43101529
2-chloro-5-methyl-4-N-(3-phenylbutyl)benzene-1,4-diamine
CID 115554911
4-[1-(2-chloro-5-methylanilino)ethyl]phenol
CID 107631148

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine (CID 115554734) is 2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine is Cc1ccc(C(C)Nc2cc(Cl)c(N)cc2C)cc1.
What is the InChIKey of 2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine?
The InChIKey is QTSUIDACSGKDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-10-4-6-13(7-5-10)12(3)19-16-9-14(17)15(18)8-11(16)2/h4-9,12,19H,18H2,1-3H3.
What are the key properties of 2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine?
2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine has a molecular weight of 274.80 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 115554734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).