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

C16H18ClN — CID 43096271

IUPAC3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
SMILESCc1ccccc1C(C)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H18ClN/c1-11-7-4-5-8-14(11)13(3)18-16-10-6-9-15(17)12(16)2/h4-10,13,18H,1-3H3
InChIKeyMWYDJLUZZDAKFY-UHFFFAOYSA-N
MW259.78 g/mol
LogP5.13
Rot. Bonds3

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

3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline (PubChem CID 43096271) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
PubChem CID43096271
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
SMILESCc1ccccc1C(C)Nc1cccc(Cl)c1C
InChIInChI=1S/C16H18ClN/c1-11-7-4-5-8-14(11)13(3)18-16-10-6-9-15(17)12(16)2/h4-10,13,18H,1-3H3
InChIKeyMWYDJLUZZDAKFY-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.78
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43098144
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
CID 43095344
3-chloro-N-[1-(4-iodophenyl)ethyl]-2-methylaniline
CID 43758590
N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline
CID 43233045
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
methyl 3-[1-(2-chlorophenyl)ethylamino]-2-methylbenzoate
CID 43714429
2-methyl-N-[1-(2-methylphenyl)ethyl]pyridin-3-amine
CID 79041978
2-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43178628
[2-[1-(2-methylphenyl)ethylamino]phenyl]methanol
CID 43743253
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440
N-(3-chloro-2-methylphenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54807478

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline?
The IUPAC name of 3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline (CID 43096271) is 3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline.
What is the SMILES notation for 3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline?
The canonical SMILES for 3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline is Cc1ccccc1C(C)Nc1cccc(Cl)c1C.
What is the InChIKey of 3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline?
The InChIKey is MWYDJLUZZDAKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-11-7-4-5-8-14(11)13(3)18-16-10-6-9-15(17)12(16)2/h4-10,13,18H,1-3H3.
What are the key properties of 3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline?
3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline has a molecular weight of 259.78 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43096271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).