5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline

C11H17ClN2 — CID 114847884

IUPAC5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
SMILESCCN(C)c1cc(Cl)ccc1CNC
InChIInChI=1S/C11H17ClN2/c1-4-14(3)11-7-10(12)6-5-9(11)8-13-2/h5-7,13H,4,8H2,1-3H3
InChIKeyQZYVTKFDHVDOHC-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.52
Rot. Bonds4

About 5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline

5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline (PubChem CID 114847884) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
PubChem CID114847884
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
SMILESCCN(C)c1cc(Cl)ccc1CNC
InChIInChI=1S/C11H17ClN2/c1-4-14(3)11-7-10(12)6-5-9(11)8-13-2/h5-7,13H,4,8H2,1-3H3
InChIKeyQZYVTKFDHVDOHC-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline
CID 114847371
5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
CID 114850462
2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide
CID 114849378
N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline
CID 114847834
5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 114851430
5-chloro-N-ethyl-2-fluoro-N-methylaniline
CID 115259333
5-chloro-N-methyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 114852491
5-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)aniline
CID 114850215
2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide
CID 114849652
N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114851389
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide
CID 114849406

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline?
The IUPAC name of 5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline (CID 114847884) is 5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline.
What is the SMILES notation for 5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline?
The canonical SMILES for 5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline is CCN(C)c1cc(Cl)ccc1CNC.
What is the InChIKey of 5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline?
The InChIKey is QZYVTKFDHVDOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-4-14(3)11-7-10(12)6-5-9(11)8-13-2/h5-7,13H,4,8H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline?
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline has a molecular weight of 212.72 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline is sourced from PubChem (CID 114847884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).