3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline

C16H24BrNO — CID 64762886

IUPAC3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline
SMILESCOCc1c(Br)cccc1NC1CC(C)CCC1C
InChIInChI=1S/C16H24BrNO/c1-11-7-8-12(2)16(9-11)18-15-6-4-5-14(17)13(15)10-19-3/h4-6,11-12,16,18H,7-10H2,1-3H3
InChIKeyODYSUFIPPWGVEP-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.83
Rot. Bonds4

About 3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline

3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline (PubChem CID 64762886) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline
PubChem CID64762886
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline
SMILESCOCc1c(Br)cccc1NC1CC(C)CCC1C
InChIInChI=1S/C16H24BrNO/c1-11-7-8-12(2)16(9-11)18-15-6-4-5-14(17)13(15)10-19-3/h4-6,11-12,16,18H,7-10H2,1-3H3
InChIKeyODYSUFIPPWGVEP-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bromo-2-(methoxymethyl)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364448
N-[3-bromo-2-(methoxymethyl)phenyl]adamantan-2-amine
CID 63452783
3-bromo-N-(3-cyclopropylcyclohexyl)-2-(methoxymethyl)aniline
CID 64624414
N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline
CID 64762986
N-(2,5-dimethylcyclohexyl)naphthalen-1-amine
CID 64776146
N-[3-bromo-2-(methoxymethyl)phenyl]-1-oxothian-4-amine
CID 54981971
N-[3-bromo-2-(methoxymethyl)phenyl]azepan-4-amine
CID 103981751
[2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol
CID 115885001
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658673
N-[3-bromo-2-(methoxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63452223
N-(2,5-dimethylcyclohexyl)-2-methylquinolin-8-amine
CID 64762321
3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 61168138

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline?
The IUPAC name of 3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline (CID 64762886) is 3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline.
What is the SMILES notation for 3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline?
The canonical SMILES for 3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline is COCc1c(Br)cccc1NC1CC(C)CCC1C.
What is the InChIKey of 3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline?
The InChIKey is ODYSUFIPPWGVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11-7-8-12(2)16(9-11)18-15-6-4-5-14(17)13(15)10-19-3/h4-6,11-12,16,18H,7-10H2,1-3H3.
What are the key properties of 3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline?
3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline has a molecular weight of 326.28 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline is sourced from PubChem (CID 64762886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).