3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline

C17H21ClN2 — CID 43280695

IUPAC3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1cccc(Cl)c1CNC
InChIInChI=1S/C17H21ClN2/c1-4-20(16-10-6-5-8-13(16)2)17-11-7-9-15(18)14(17)12-19-3/h5-11,19H,4,12H2,1-3H3
InChIKeyLWXUITQGBWPOCY-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.53
Rot. Bonds5

About 3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline

3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline (PubChem CID 43280695) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline
PubChem CID43280695
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline
SMILESCCN(c1ccccc1C)c1cccc(Cl)c1CNC
InChIInChI=1S/C17H21ClN2/c1-4-20(16-10-6-5-8-13(16)2)17-11-7-9-15(18)14(17)12-19-3/h5-11,19H,4,12H2,1-3H3
InChIKeyLWXUITQGBWPOCY-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

2-(bromomethyl)-3-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 107079222
3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine
CID 104833908
3-chloro-N-methyl-2-(methylaminomethyl)-N-pentan-3-ylaniline
CID 43571403
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
3-chloro-N-ethyl-N-(2-methylphenyl)-2-nitroaniline
CID 104838684
N-ethyl-4-(methylaminomethyl)-N-(2-methylphenyl)pyridin-3-amine
CID 105072688
3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(4-methylphenyl)aniline
CID 63551401
N-ethyl-N-[2-(ethylaminomethyl)phenyl]-2-methylaniline
CID 43280687
2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine
CID 29039749
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline
CID 107399886
3-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 65488208
3-chloro-N-methyl-N-(2-methylphenyl)-2-[(propan-2-ylamino)methyl]aniline
CID 63553262

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline?
The IUPAC name of 3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline (CID 43280695) is 3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline.
What is the SMILES notation for 3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline?
The canonical SMILES for 3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline is CCN(c1ccccc1C)c1cccc(Cl)c1CNC.
What is the InChIKey of 3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline?
The InChIKey is LWXUITQGBWPOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-4-20(16-10-6-5-8-13(16)2)17-11-7-9-15(18)14(17)12-19-3/h5-11,19H,4,12H2,1-3H3.
What are the key properties of 3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline?
3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-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 3-chloro-N-ethyl-2-(methylaminomethyl)-N-(2-methylphenyl)aniline is sourced from PubChem (CID 43280695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).