2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride

C20H28BrClN2O — CID 119801110

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride
SMILESCN(CC1(c2ccc(Br)cc2)CC1)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C20H27BrN2O.ClH/c1-23(13-20(8-9-20)15-2-4-16(21)5-3-15)19(24)12-14-10-17-6-7-18(11-14)22-17;/h2-5,14,17-18,22H,6-13H2,1H3;1H
InChIKeyOFWOHNTVIPNMDQ-UHFFFAOYSA-N
MW427.81 g/mol
LogP4.28
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride (PubChem CID 119801110) has the molecular formula C20H28BrClN2O and a molecular weight of 427.81 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride
PubChem CID119801110
Molecular FormulaC20H28BrClN2O
Molecular Weight427.81 g/mol
Exact Mass426.11
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride
SMILESCN(CC1(c2ccc(Br)cc2)CC1)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C20H27BrN2O.ClH/c1-23(13-20(8-9-20)15-2-4-16(21)5-3-15)19(24)12-14-10-17-6-7-18(11-14)22-17;/h2-5,14,17-18,22H,6-13H2,1H3;1H
InChIKeyOFWOHNTVIPNMDQ-UHFFFAOYSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 79610089
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylacetamide
CID 105417599
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide
CID 97215973
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride
CID 119759233
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119801130
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
CID 79607520
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylpropanamide
CID 119333592
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride
CID 119805915
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772678
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119680859
1-[1-(4-bromophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 68890451
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 79610332

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride (CID 119801110) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride is CN(CC1(c2ccc(Br)cc2)CC1)C(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride?
The InChIKey is OFWOHNTVIPNMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2O.ClH/c1-23(13-20(8-9-20)15-2-4-16(21)5-3-15)19(24)12-14-10-17-6-7-18(11-14)22-17;/h2-5,14,17-18,22H,6-13H2,1H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride has a molecular weight of 427.81 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-bromophenyl)cyclopropyl]methyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119801110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).