2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline

C15H25ClN2 — CID 114068616

IUPAC2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1c(Cl)cccc1CNC
InChIInChI=1S/C15H25ClN2/c1-5-12(3)11-18(6-2)15-13(10-17-4)8-7-9-14(15)16/h7-9,12,17H,5-6,10-11H2,1-4H3
InChIKeyNMBIMULUWGHZPA-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.93
Rot. Bonds7

About 2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline

2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline (PubChem CID 114068616) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline
PubChem CID114068616
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1c(Cl)cccc1CNC
InChIInChI=1S/C15H25ClN2/c1-5-12(3)11-18(6-2)15-13(10-17-4)8-7-9-14(15)16/h7-9,12,17H,5-6,10-11H2,1-4H3
InChIKeyNMBIMULUWGHZPA-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide
CID 114068279
N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline
CID 114068112
N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline
CID 114055099
3-chloro-2-(chloromethyl)-N-ethyl-N-(2-methylbutyl)aniline
CID 79476970
N-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)pyridin-2-amine
CID 62279569
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79470283
2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide
CID 114068290
2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol
CID 114068233
N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 79481296
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
3-chloro-N-methyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 107091254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline?
The IUPAC name of 2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline (CID 114068616) is 2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline.
What is the SMILES notation for 2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline?
The canonical SMILES for 2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline is CCC(C)CN(CC)c1c(Cl)cccc1CNC.
What is the InChIKey of 2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline?
The InChIKey is NMBIMULUWGHZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-5-12(3)11-18(6-2)15-13(10-17-4)8-7-9-14(15)16/h7-9,12,17H,5-6,10-11H2,1-4H3.
What are the key properties of 2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline?
2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline has a molecular weight of 268.83 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline is sourced from PubChem (CID 114068616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).