3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine

C18H26BrNO — CID 66350264

IUPAC3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
SMILESCCNC1CC(Oc2ccc(Br)cc2C)C12CCCCC2
InChIInChI=1S/C18H26BrNO/c1-3-20-16-12-17(18(16)9-5-4-6-10-18)21-15-8-7-14(19)11-13(15)2/h7-8,11,16-17,20H,3-6,9-10,12H2,1-2H3
InChIKeyYACBOAWUEVTUCD-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.84
Rot. Bonds4

About 3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine

3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine (PubChem CID 66350264) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
PubChem CID66350264
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
SMILESCCNC1CC(Oc2ccc(Br)cc2C)C12CCCCC2
InChIInChI=1S/C18H26BrNO/c1-3-20-16-12-17(18(16)9-5-4-6-10-18)21-15-8-7-14(19)11-13(15)2/h7-8,11,16-17,20H,3-6,9-10,12H2,1-2H3
InChIKeyYACBOAWUEVTUCD-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-methylphenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66350265
3-(5-bromo-2-chlorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66352469
3-(5-bromo-2-fluorophenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 114677226
3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66350697
1-(4-bromo-2-methylphenoxy)-3-chlorospiro[3.6]decane
CID 66345790
3-(5-chloro-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine
CID 66350968
3-(2-bromo-4-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66359577
3-(2,4-dibromophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66352926
N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine
CID 107662355
3-(2,4-difluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66357541
3-(4-bromo-2,5-dichlorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 107662308
N-ethyl-3-(4-methylphenoxy)spiro[3.4]octan-1-amine
CID 66359379

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine (CID 66350264) is 3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine is CCNC1CC(Oc2ccc(Br)cc2C)C12CCCCC2.
What is the InChIKey of 3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine?
The InChIKey is YACBOAWUEVTUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-3-20-16-12-17(18(16)9-5-4-6-10-18)21-15-8-7-14(19)11-13(15)2/h7-8,11,16-17,20H,3-6,9-10,12H2,1-2H3.
What are the key properties of 3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine?
3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine has a molecular weight of 352.32 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methylphenoxy)-N-ethylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 66350264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).