1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine

C17H24BrNO — CID 115862199

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(OC)ccc1Br)C1CC2CC2C1
InChIInChI=1S/C17H24BrNO/c1-3-19-17(14-7-11-6-12(11)8-14)10-13-9-15(20-2)4-5-16(13)18/h4-5,9,11-12,14,17,19H,3,6-8,10H2,1-2H3
InChIKeyUZVRSPPFLHCCMG-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.02
Rot. Bonds6

About 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine

1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine (PubChem CID 115862199) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
PubChem CID115862199
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(OC)ccc1Br)C1CC2CC2C1
InChIInChI=1S/C17H24BrNO/c1-3-19-17(14-7-11-6-12(11)8-14)10-13-9-15(20-2)4-5-16(13)18/h4-5,9,11-12,14,17,19H,3,6-8,10H2,1-2H3
InChIKeyUZVRSPPFLHCCMG-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 107004487
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
CID 115816995
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 65325556
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
2-(2-bromo-5-methoxyphenyl)-1-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 65325618
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65325071
1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65325525
2-(2-bromo-5-methoxyphenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878468
2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 65326628

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine (CID 115862199) is 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine is CCNC(Cc1cc(OC)ccc1Br)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine?
The InChIKey is UZVRSPPFLHCCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-3-19-17(14-7-11-6-12(11)8-14)10-13-9-15(20-2)4-5-16(13)18/h4-5,9,11-12,14,17,19H,3,6-8,10H2,1-2H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine?
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine has a molecular weight of 338.29 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 115862199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).