3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine

C17H24BrNO — CID 66358000

IUPAC3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine
SMILESCNC1CC(Oc2ccccc2Br)C12CCCCCC2
InChIInChI=1S/C17H24BrNO/c1-19-15-12-16(17(15)10-6-2-3-7-11-17)20-14-9-5-4-8-13(14)18/h4-5,8-9,15-16,19H,2-3,6-7,10-12H2,1H3
InChIKeyULTJJHDHHHHSDN-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.53
Rot. Bonds3

About 3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine

3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine (PubChem CID 66358000) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine
PubChem CID66358000
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine
SMILESCNC1CC(Oc2ccccc2Br)C12CCCCCC2
InChIInChI=1S/C17H24BrNO/c1-19-15-12-16(17(15)10-6-2-3-7-11-17)20-14-9-5-4-8-13(14)18/h4-5,8-9,15-16,19H,2-3,6-7,10-12H2,1H3
InChIKeyULTJJHDHHHHSDN-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-4-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357153
3-(2-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66357306
3-(2-ethoxyphenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66359518
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66359116
3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66350265
N-methyl-3-(2-propoxyphenoxy)spiro[3.4]octan-1-amine
CID 66359383
N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine
CID 66358042
3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357529
3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66356924
3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359127
N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine
CID 66359517
3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66359498

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine?
The IUPAC name of 3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine (CID 66358000) is 3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine.
What is the SMILES notation for 3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine?
The canonical SMILES for 3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine is CNC1CC(Oc2ccccc2Br)C12CCCCCC2.
What is the InChIKey of 3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine?
The InChIKey is ULTJJHDHHHHSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-19-15-12-16(17(15)10-6-2-3-7-11-17)20-14-9-5-4-8-13(14)18/h4-5,8-9,15-16,19H,2-3,6-7,10-12H2,1H3.
What are the key properties of 3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine?
3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine has a molecular weight of 338.29 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine is sourced from PubChem (CID 66358000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).