5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline

C16H25BrN2 — CID 43280941

IUPAC5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline
SMILESCCN(c1cc(Br)ccc1CNC)C1CCCCC1
InChIInChI=1S/C16H25BrN2/c1-3-19(15-7-5-4-6-8-15)16-11-14(17)10-9-13(16)12-18-2/h9-11,15,18H,3-8,12H2,1-2H3
InChIKeyINPPSUIFEQZUCR-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.33
Rot. Bonds5

About 5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline

5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline (PubChem CID 43280941) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline
PubChem CID43280941
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline
SMILESCCN(c1cc(Br)ccc1CNC)C1CCCCC1
InChIInChI=1S/C16H25BrN2/c1-3-19(15-7-5-4-6-8-15)16-11-14(17)10-9-13(16)12-18-2/h9-11,15,18H,3-8,12H2,1-2H3
InChIKeyINPPSUIFEQZUCR-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
2-(aminomethyl)-5-bromo-N-cyclopropyl-N-ethylaniline
CID 43264393
5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
CID 43280334
2-bromo-N-cyclopentyl-N-ethyl-4-(methylaminomethyl)aniline
CID 114062715
2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde
CID 43541309
5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
CID 43280842
2-chloro-N-cyclopentyl-N-ethyl-4-(methylaminomethyl)aniline
CID 81149000
5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
CID 43281259
5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline
CID 114848269
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374
3-[5-bromo-N-cyclobutyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 102864710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline?
The IUPAC name of 5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline (CID 43280941) is 5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline.
What is the SMILES notation for 5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline?
The canonical SMILES for 5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline is CCN(c1cc(Br)ccc1CNC)C1CCCCC1.
What is the InChIKey of 5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline?
The InChIKey is INPPSUIFEQZUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-19(15-7-5-4-6-8-15)16-11-14(17)10-9-13(16)12-18-2/h9-11,15,18H,3-8,12H2,1-2H3.
What are the key properties of 5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline?
5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline has a molecular weight of 325.29 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline is sourced from PubChem (CID 43280941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).