5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline

C16H18ClN — CID 43102806

IUPAC5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C16H18ClN/c1-11-4-7-14(8-5-11)13(3)18-16-10-15(17)9-6-12(16)2/h4-10,13,18H,1-3H3
InChIKeyFKWGKLKUIHFFSO-UHFFFAOYSA-N
MW259.78 g/mol
LogP5.13
Rot. Bonds3

About 5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline

5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline (PubChem CID 43102806) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
PubChem CID43102806
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2cc(Cl)ccc2C)cc1
InChIInChI=1S/C16H18ClN/c1-11-4-7-14(8-5-11)13(3)18-16-10-15(17)9-6-12(16)2/h4-10,13,18H,1-3H3
InChIKeyFKWGKLKUIHFFSO-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

5-chloro-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099949
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43101529
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921
5-chloro-2-[1-(4-methylphenyl)ethylamino]benzonitrile
CID 55209456
2-chloro-5-methyl-4-N-[1-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 115554734
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43196651
5-chloro-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43094249
2,5-dimethyl-4-[1-(4-methylphenyl)ethylamino]phenol
CID 106953903
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
2-[1-(5-chloro-2-methylanilino)ethyl]phenol
CID 43189458

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The IUPAC name of 5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline (CID 43102806) is 5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The canonical SMILES for 5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline is Cc1ccc(C(C)Nc2cc(Cl)ccc2C)cc1.
What is the InChIKey of 5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
The InChIKey is FKWGKLKUIHFFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-11-4-7-14(8-5-11)13(3)18-16-10-15(17)9-6-12(16)2/h4-10,13,18H,1-3H3.
What are the key properties of 5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline?
5-chloro-2-methyl-N-[1-(4-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 5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 43102806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).