4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline

C17H20ClN — CID 63540061

IUPAC4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1ccc(CCl)cc1C
InChIInChI=1S/C17H20ClN/c1-4-19(16-8-6-5-7-13(16)2)17-10-9-15(12-18)11-14(17)3/h5-11H,4,12H2,1-3H3
InChIKeyLVYIFKOSLVPZJX-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.20
Rot. Bonds4

About 4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline

4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline (PubChem CID 63540061) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
PubChem CID63540061
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1ccc(CCl)cc1C
InChIInChI=1S/C17H20ClN/c1-4-19(16-8-6-5-7-13(16)2)17-10-9-15(12-18)11-14(17)3/h5-11H,4,12H2,1-3H3
InChIKeyLVYIFKOSLVPZJX-UHFFFAOYSA-N
XLogP5.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
4-(chloromethyl)-N-ethyl-N,2-dimethylaniline
CID 62123149
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 81165834
2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 81151857
4-(chloromethyl)-N,2-dimethyl-N-phenylaniline
CID 55221919
2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine
CID 29039749
3-(chloromethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine
CID 81238500
2-bromo-4-(chloromethyl)-N-ethyl-N-phenylaniline
CID 114062458
(1S)-1-[3-chloro-4-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 78944650
3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine
CID 104833908
4-(chloromethyl)-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylaniline
CID 63567303

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline?
The IUPAC name of 4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline (CID 63540061) is 4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for 4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline?
The canonical SMILES for 4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline is CCN(c1ccccc1C)c1ccc(CCl)cc1C.
What is the InChIKey of 4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline?
The InChIKey is LVYIFKOSLVPZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-4-19(16-8-6-5-7-13(16)2)17-10-9-15(12-18)11-14(17)3/h5-11H,4,12H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline?
4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline has a molecular weight of 273.81 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 63540061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).