N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline

C16H27ClN2 — CID 114847834

IUPACN,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline
SMILESCCCCN(CCCC)c1cc(Cl)ccc1CNC
InChIInChI=1S/C16H27ClN2/c1-4-6-10-19(11-7-5-2)16-12-15(17)9-8-14(16)13-18-3/h8-9,12,18H,4-7,10-11,13H2,1-3H3
InChIKeyAXXPELIEWDEPJJ-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.47
Rot. Bonds9

About N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline

N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline (PubChem CID 114847834) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline
PubChem CID114847834
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC NameN,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline
SMILESCCCCN(CCCC)c1cc(Cl)ccc1CNC
InChIInChI=1S/C16H27ClN2/c1-4-6-10-19(11-7-5-2)16-12-15(17)9-8-14(16)13-18-3/h8-9,12,18H,4-7,10-11,13H2,1-3H3
InChIKeyAXXPELIEWDEPJJ-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.47
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-N-methyl-2-(methylaminomethyl)aniline
CID 114847884
2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide
CID 114849652
2-[N-butyl-5-chloro-2-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 114849250
4-chloro-2-(dibutylamino)benzonitrile
CID 63510927
4-chloro-N-ethyl-2-(methylaminomethyl)-N-propylaniline
CID 114847967
3-(N-butyl-2,5-dichloroanilino)propanoic acid
CID 82317973
5-chloro-N-ethyl-2-(methylaminomethyl)-N-(4-methylphenyl)aniline
CID 114850462
2-N-butyl-4-chloro-2-N-ethylbenzene-1,2-diamine
CID 115468453
N-butyl-5-chloro-2-(chloromethyl)-N-methylaniline
CID 114846304
2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide
CID 114849378
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-pentylaniline
CID 114848078

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline?
The IUPAC name of N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline (CID 114847834) is N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline.
What is the SMILES notation for N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline?
The canonical SMILES for N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline is CCCCN(CCCC)c1cc(Cl)ccc1CNC.
What is the InChIKey of N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline?
The InChIKey is AXXPELIEWDEPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-4-6-10-19(11-7-5-2)16-12-15(17)9-8-14(16)13-18-3/h8-9,12,18H,4-7,10-11,13H2,1-3H3.
What are the key properties of N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline?
N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline has a molecular weight of 282.86 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline is sourced from PubChem (CID 114847834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).