9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H28BrClN2O2 — CID 120983601

IUPAC9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C19H27BrN2O2.ClH/c1-22(9-10-24-17-7-5-16(20)6-8-17)19(23)15-11-13-3-2-4-14(12-15)18(13)21;/h5-8,13-15,18H,2-4,9-12,21H2,1H3;1H
InChIKeyWSHAUELDQBAJBS-UHFFFAOYSA-N
MW431.80 g/mol
LogP3.86
Rot. Bonds5

About 9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120983601) has the molecular formula C19H28BrClN2O2 and a molecular weight of 431.80 g/mol. Its IUPAC name is 9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120983601
Molecular FormulaC19H28BrClN2O2
Molecular Weight431.80 g/mol
Exact Mass430.10
IUPAC Name9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C19H27BrN2O2.ClH/c1-22(9-10-24-17-7-5-16(20)6-8-17)19(23)15-11-13-3-2-4-14(12-15)18(13)21;/h5-8,13-15,18H,2-4,9-12,21H2,1H3;1H
InChIKeyWSHAUELDQBAJBS-UHFFFAOYSA-N
XLogP3.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984064
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 64823580
4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210396
(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119684300
2-[2-(4-bromophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952814
9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120985389
3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119805667
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60937922
9-amino-N-(cyclobutylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989590
3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120983601) is 9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CN(CCOc1ccc(Br)cc1)C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is WSHAUELDQBAJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O2.ClH/c1-22(9-10-24-17-7-5-16(20)6-8-17)19(23)15-11-13-3-2-4-14(12-15)18(13)21;/h5-8,13-15,18H,2-4,9-12,21H2,1H3;1H.
What are the key properties of 9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 431.80 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120983601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).