3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine

C18H26BrNO — CID 82807158

IUPAC3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine
SMILESCNC1CC(OCc2cccc(Br)c2)C12CCCCCC2
InChIInChI=1S/C18H26BrNO/c1-20-16-12-17(18(16)9-4-2-3-5-10-18)21-13-14-7-6-8-15(19)11-14/h6-8,11,16-17,20H,2-5,9-10,12-13H2,1H3
InChIKeySXIZCAJTBVBDMD-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.67
Rot. Bonds4

About 3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine

3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine (PubChem CID 82807158) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine
PubChem CID82807158
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine
SMILESCNC1CC(OCc2cccc(Br)c2)C12CCCCCC2
InChIInChI=1S/C18H26BrNO/c1-20-16-12-17(18(16)9-4-2-3-5-10-18)21-13-14-7-6-8-15(19)11-14/h6-8,11,16-17,20H,2-5,9-10,12-13H2,1H3
InChIKeySXIZCAJTBVBDMD-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine
CID 66349861
1-[(3-bromophenyl)methoxy]-3-chlorospiro[3.5]nonane
CID 82825044
3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine
CID 82825839
3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
CID 66359025
3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
CID 66353126
3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66350265
3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine
CID 82807037
3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol
CID 95971660
N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine
CID 66358042
1-bromo-3-[(3-chloro-2,2-dimethylcyclobutyl)oxymethyl]benzene
CID 82825989
N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64865194
3-bromo-1-[(3-methoxyphenyl)methoxy]spiro[3.4]octane
CID 66343418

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine (CID 82807158) is 3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine is CNC1CC(OCc2cccc(Br)c2)C12CCCCCC2.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine?
The InChIKey is SXIZCAJTBVBDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-20-16-12-17(18(16)9-4-2-3-5-10-18)21-13-14-7-6-8-15(19)11-14/h6-8,11,16-17,20H,2-5,9-10,12-13H2,1H3.
What are the key properties of 3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine?
3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine has a molecular weight of 352.32 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine is sourced from PubChem (CID 82807158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).