5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline

C17H21ClN2 — CID 114850462

IUPAC5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
SMILESCCN(c1ccc(C)cc1)c1cc(Cl)ccc1CNC
InChIInChI=1S/C17H21ClN2/c1-4-20(16-9-5-13(2)6-10-16)17-11-15(18)8-7-14(17)12-19-3/h5-11,19H,4,12H2,1-3H3
InChIKeyWPXYXTSYYHRQPO-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.53
Rot. Bonds5

About 5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline

5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline (PubChem CID 114850462) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
PubChem CID114850462
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
SMILESCCN(c1ccc(C)cc1)c1cc(Cl)ccc1CNC
InChIInChI=1S/C17H21ClN2/c1-4-20(16-9-5-13(2)6-10-16)17-11-15(18)8-7-14(17)12-19-3/h5-11,19H,4,12H2,1-3H3
InChIKeyWPXYXTSYYHRQPO-UHFFFAOYSA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
CID 63551959
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
CID 114847884
[5-chloro-2-(N-ethyl-4-methylanilino)phenyl]methanol
CID 114845519
5-chloro-2-(N-ethyl-4-methylanilino)benzonitrile
CID 63512322
5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline
CID 114847371
N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline
CID 114847834
5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline
CID 114850215
N-ethyl-N-(4-fluorophenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-amine
CID 81246360
5-chloro-N-ethyl-6-(methylaminomethyl)-N-(4-methylphenyl)pyridin-2-amine
CID 62294767
2-(2-aminobutyl)-5-chloro-N-ethyl-N-phenylaniline
CID 114860397
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
4-chloro-N-ethyl-2-(methylaminomethyl)-N-propylaniline
CID 114847967

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline?
The IUPAC name of 5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline (CID 114850462) is 5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline.
What is the SMILES notation for 5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline?
The canonical SMILES for 5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline is CCN(c1ccc(C)cc1)c1cc(Cl)ccc1CNC.
What is the InChIKey of 5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline?
The InChIKey is WPXYXTSYYHRQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-4-20(16-9-5-13(2)6-10-16)17-11-15(18)8-7-14(17)12-19-3/h5-11,19H,4,12H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline?
5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline has a molecular weight of 288.82 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline is sourced from PubChem (CID 114850462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).