N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine

C16H24BrNO — CID 5262176

IUPACN-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine
SMILESCN(CCCOc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C16H24BrNO/c1-18(15-6-3-2-4-7-15)12-5-13-19-16-10-8-14(17)9-11-16/h8-11,15H,2-7,12-13H2,1H3
InChIKeyKMYQVWSNXHUBIM-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.48
Rot. Bonds6

About N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine

N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine (PubChem CID 5262176) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine
PubChem CID5262176
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine
SMILESCN(CCCOc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C16H24BrNO/c1-18(15-6-3-2-4-7-15)12-5-13-19-16-10-8-14(17)9-11-16/h8-11,15H,2-7,12-13H2,1H3
InChIKeyKMYQVWSNXHUBIM-UHFFFAOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
4-[3-[cyclohexyl(methyl)amino]propoxy]benzoic acid
CID 22681784
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
N-methyl-N-[7-(4-phenylmethoxyphenoxy)heptyl]cyclohexanamine
CID 54113612
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
4-[3-[methyl-(4-methylcyclohexyl)amino]propoxy]aniline
CID 61439026
2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 43288697
2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine
CID 63386918
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266888
3-(4-bromophenoxy)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102684243

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine?
The IUPAC name of N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine (CID 5262176) is N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine is CN(CCCOc1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine?
The InChIKey is KMYQVWSNXHUBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-18(15-6-3-2-4-7-15)12-5-13-19-16-10-8-14(17)9-11-16/h8-11,15H,2-7,12-13H2,1H3.
What are the key properties of N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine?
N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine has a molecular weight of 326.28 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine is sourced from PubChem (CID 5262176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).