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

C17H27BrN2 — CID 63552851

IUPAC5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
SMILESCCNCc1ccc(Br)cc1N(C)CC1CCCCC1
InChIInChI=1S/C17H27BrN2/c1-3-19-12-15-9-10-16(18)11-17(15)20(2)13-14-7-5-4-6-8-14/h9-11,14,19H,3-8,12-13H2,1-2H3
InChIKeyNRHPUNKPNWJXKS-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.58
Rot. Bonds6

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

5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline (PubChem CID 63552851) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline.

Molecular Properties

Compound Name5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
PubChem CID63552851
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
SMILESCCNCc1ccc(Br)cc1N(C)CC1CCCCC1
InChIInChI=1S/C17H27BrN2/c1-3-19-12-15-9-10-16(18)11-17(15)20(2)13-14-7-5-4-6-8-14/h9-11,14,19H,3-8,12-13H2,1-2H3
InChIKeyNRHPUNKPNWJXKS-UHFFFAOYSA-N
XLogP4.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63553037
5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
CID 43280842
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
CID 63956035
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline
CID 63682139
N-(cyclopentylmethyl)-4-(ethylaminomethyl)-N,3-dimethylaniline
CID 63630730
N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 81248305
N-(cyclobutylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyridin-4-amine
CID 81247485
2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide
CID 43375159
5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 63551348
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
CID 82967364
5-bromo-N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281562

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline?
The IUPAC name of 5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline (CID 63552851) is 5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline.
What is the SMILES notation for 5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline?
The canonical SMILES for 5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline is CCNCc1ccc(Br)cc1N(C)CC1CCCCC1.
What is the InChIKey of 5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline?
The InChIKey is NRHPUNKPNWJXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-3-19-12-15-9-10-16(18)11-17(15)20(2)13-14-7-5-4-6-8-14/h9-11,14,19H,3-8,12-13H2,1-2H3.
What are the key properties of 5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline?
5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline has a molecular weight of 339.32 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline is sourced from PubChem (CID 63552851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).