5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline

C16H25BrN2 — CID 43280842

IUPAC5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
SMILESCCNCc1ccc(Br)cc1N(C)C1CCCCC1
InChIInChI=1S/C16H25BrN2/c1-3-18-12-13-9-10-14(17)11-16(13)19(2)15-7-5-4-6-8-15/h9-11,15,18H,3-8,12H2,1-2H3
InChIKeyQNNGOCJANOVVEZ-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.33
Rot. Bonds5

About 5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline

5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline (PubChem CID 43280842) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
PubChem CID43280842
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
SMILESCCNCc1ccc(Br)cc1N(C)C1CCCCC1
InChIInChI=1S/C16H25BrN2/c1-3-18-12-13-9-10-14(17)11-16(13)19(2)15-7-5-4-6-8-15/h9-11,15,18H,3-8,12H2,1-2H3
InChIKeyQNNGOCJANOVVEZ-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

5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851
2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
CID 63785627
5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline
CID 43280941
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
CID 63956035
N-cyclobutyl-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105074525
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63551172
5-chloro-2-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methylaniline
CID 114849309
N-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 43280907
2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline?
The IUPAC name of 5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline (CID 43280842) is 5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline.
What is the SMILES notation for 5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline?
The canonical SMILES for 5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline is CCNCc1ccc(Br)cc1N(C)C1CCCCC1.
What is the InChIKey of 5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline?
The InChIKey is QNNGOCJANOVVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-18-12-13-9-10-14(17)11-16(13)19(2)15-7-5-4-6-8-15/h9-11,15,18H,3-8,12H2,1-2H3.
What are the key properties of 5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline?
5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline 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-2-(ethylaminomethyl)-N-methylaniline is sourced from PubChem (CID 43280842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).