N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine

C16H20Br3NO — CID 66358042

IUPACN-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine
SMILESCNC1CC(Oc2c(Br)cc(Br)cc2Br)C12CCCCC2
InChIInChI=1S/C16H20Br3NO/c1-20-13-9-14(16(13)5-3-2-4-6-16)21-15-11(18)7-10(17)8-12(15)19/h7-8,13-14,20H,2-6,9H2,1H3
InChIKeyDRCIPHJFFQQVDV-UHFFFAOYSA-N
MW482.05 g/mol
LogP5.66
Rot. Bonds3

About N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine

N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine (PubChem CID 66358042) has the molecular formula C16H20Br3NO and a molecular weight of 482.05 g/mol. Its IUPAC name is N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine
PubChem CID66358042
Molecular FormulaC16H20Br3NO
Molecular Weight482.05 g/mol
Exact Mass478.91
IUPAC NameN-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine
SMILESCNC1CC(Oc2c(Br)cc(Br)cc2Br)C12CCCCC2
InChIInChI=1S/C16H20Br3NO/c1-20-13-9-14(16(13)5-3-2-4-6-16)21-15-11(18)7-10(17)8-12(15)19/h7-8,13-14,20H,2-6,9H2,1H3
InChIKeyDRCIPHJFFQQVDV-UHFFFAOYSA-N
XLogP5.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.05
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66358000
3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66350265
3-(2-bromo-4-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357153
3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66359498
3-(4-chloro-3,5-dimethylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359072
3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357529
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-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine
CID 82807158
3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 82717363
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66359116
3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66356924

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine?
The IUPAC name of N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine (CID 66358042) is N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine is CNC1CC(Oc2c(Br)cc(Br)cc2Br)C12CCCCC2.
What is the InChIKey of N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine?
The InChIKey is DRCIPHJFFQQVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Br3NO/c1-20-13-9-14(16(13)5-3-2-4-6-16)21-15-11(18)7-10(17)8-12(15)19/h7-8,13-14,20H,2-6,9H2,1H3.
What are the key properties of N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine?
N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine has a molecular weight of 482.05 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 66358042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).