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

C14H23ClN2 — CID 114068112

IUPACN-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline
SMILESCCCCN(CC)c1c(Cl)cccc1CNC
InChIInChI=1S/C14H23ClN2/c1-4-6-10-17(5-2)14-12(11-16-3)8-7-9-13(14)15/h7-9,16H,4-6,10-11H2,1-3H3
InChIKeyGQPMURKGPIXMJW-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.69
Rot. Bonds7

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

N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline (PubChem CID 114068112) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline
PubChem CID114068112
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC NameN-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline
SMILESCCCCN(CC)c1c(Cl)cccc1CNC
InChIInChI=1S/C14H23ClN2/c1-4-6-10-17(5-2)14-12(11-16-3)8-7-9-13(14)15/h7-9,16H,4-6,10-11H2,1-3H3
InChIKeyGQPMURKGPIXMJW-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline
CID 114068616
2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide
CID 114068279
2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol
CID 114068233
2-chloro-N-methyl-6-(methylaminomethyl)-N-(3-methylsulfanylpropyl)aniline
CID 114237576
N,N-dibutyl-3-(methylaminomethyl)pyridin-2-amine
CID 62279311
N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline
CID 114847834
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide
CID 114068290
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 62424027
CID 67277215
CID 67277215
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline?
The IUPAC name of N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline (CID 114068112) is N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline.
What is the SMILES notation for N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline?
The canonical SMILES for N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline is CCCCN(CC)c1c(Cl)cccc1CNC.
What is the InChIKey of N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline?
The InChIKey is GQPMURKGPIXMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-6-10-17(5-2)14-12(11-16-3)8-7-9-13(14)15/h7-9,16H,4-6,10-11H2,1-3H3.
What are the key properties of N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline?
N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline has a molecular weight of 254.80 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline is sourced from PubChem (CID 114068112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).