N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline

C15H16ClN — CID 57056849

IUPACN-(4-chloro-2-methylphenyl)-2,6-dimethylaniline
SMILESCc1cc(Cl)ccc1Nc1c(C)cccc1C
InChIInChI=1S/C15H16ClN/c1-10-5-4-6-11(2)15(10)17-14-8-7-13(16)9-12(14)3/h4-9,17H,1-3H3
InChIKeyYBFWPPNWCMPAKH-UHFFFAOYSA-N
MW245.75 g/mol
LogP5.01
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline

N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline (PubChem CID 57056849) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2,6-dimethylaniline
PubChem CID57056849
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC NameN-(4-chloro-2-methylphenyl)-2,6-dimethylaniline
SMILESCc1cc(Cl)ccc1Nc1c(C)cccc1C
InChIInChI=1S/C15H16ClN/c1-10-5-4-6-11(2)15(10)17-14-8-7-13(16)9-12(14)3/h4-9,17H,1-3H3
InChIKeyYBFWPPNWCMPAKH-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.75
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-(2,6-dimethylanilino)benzenecarbothioamide
CID 63518350
4-chloro-2-(2,6-dimethylanilino)benzoic acid
CID 14550445
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
N-(4-chlorophenyl)-2,6-dimethylaniline
CID 10977319
4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine
CID 115469101
2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315331
2-(5-chloro-2-methylanilino)-3-methylbenzonitrile
CID 107106403
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethylanilino)propanamide
CID 109035866
N-(4-chloro-2-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108512069
N-(3-chloro-4-fluorophenyl)-2,6-dimethylaniline
CID 82536210
N-(5-chloro-2-methylphenyl)-N'-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 54809835

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline (CID 57056849) is N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline is Cc1cc(Cl)ccc1Nc1c(C)cccc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline?
The InChIKey is YBFWPPNWCMPAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-10-5-4-6-11(2)15(10)17-14-8-7-13(16)9-12(14)3/h4-9,17H,1-3H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline?
N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline has a molecular weight of 245.75 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2,6-dimethylaniline is sourced from PubChem (CID 57056849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).