3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline

C16H19ClN2 — CID 62002562

IUPAC3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline
SMILESCCc1ccc(N(C)Cc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-3-12-4-8-15(9-5-12)19(2)11-13-6-7-14(18)10-16(13)17/h4-10H,3,11,18H2,1-2H3
InChIKeyUMDQYAILCGFCEA-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.12
Rot. Bonds4

About 3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline

3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline (PubChem CID 62002562) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline.

Molecular Properties

Compound Name3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline
PubChem CID62002562
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline
SMILESCCc1ccc(N(C)Cc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-3-12-4-8-15(9-5-12)19(2)11-13-6-7-14(18)10-16(13)17/h4-10H,3,11,18H2,1-2H3
InChIKeyUMDQYAILCGFCEA-UHFFFAOYSA-N
XLogP4.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[(dimethylamino)methyl]aniline;dihydrochloride
CID 52983627
5-bromo-2-[(4-ethyl-N-methylanilino)methyl]aniline
CID 79712794
4-N-[(3-chloro-4-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 103038289
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
CID 62001590
4-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-diamine
CID 62001857
5-[(4-ethyl-N-methylanilino)methyl]-2-methylaniline
CID 62003419
3-chloro-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]aniline
CID 112657781
2-[(4-ethyl-N-methylanilino)methyl]-5-fluorobenzenecarbothioamide
CID 63293153
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-fluoro-N-methylaniline
CID 102662908
2-[(4-ethyl-N-methylanilino)methyl]-4-methylphenol
CID 82978731
4-[(2,4-dichlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 62970876
3-[(4-amino-2-chlorophenyl)methyl-methylamino]butanenitrile
CID 63225451

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline?
The IUPAC name of 3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline (CID 62002562) is 3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline.
What is the SMILES notation for 3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline?
The canonical SMILES for 3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline is CCc1ccc(N(C)Cc2ccc(N)cc2Cl)cc1.
What is the InChIKey of 3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline?
The InChIKey is UMDQYAILCGFCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-12-4-8-15(9-5-12)19(2)11-13-6-7-14(18)10-16(13)17/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline?
3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline has a molecular weight of 274.80 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-ethyl-N-methylanilino)methyl]aniline is sourced from PubChem (CID 62002562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).