3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine

C18H26BrNO — CID 82807037

IUPAC3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine
SMILESCCCNC1CC(OCc2ccc(Br)cc2)C12CCCC2
InChIInChI=1S/C18H26BrNO/c1-2-11-20-16-12-17(18(16)9-3-4-10-18)21-13-14-5-7-15(19)8-6-14/h5-8,16-17,20H,2-4,9-13H2,1H3
InChIKeyIZTKSGWDAXTZFB-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.67
Rot. Bonds6

About 3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine

3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine (PubChem CID 82807037) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine
PubChem CID82807037
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine
SMILESCCCNC1CC(OCc2ccc(Br)cc2)C12CCCC2
InChIInChI=1S/C18H26BrNO/c1-2-11-20-16-12-17(18(16)9-3-4-10-18)21-13-14-5-7-15(19)8-6-14/h5-8,16-17,20H,2-4,9-13H2,1H3
InChIKeyIZTKSGWDAXTZFB-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine
CID 82808639
3-[(4-chlorophenyl)methoxy]-N-ethylspiro[3.4]octan-1-amine
CID 66351177
3-(2,4-dibromophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66352926
N-propyl-3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
CID 66351117
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
3-butoxy-N-propylspiro[3.6]decan-1-amine
CID 66357055
3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66350962
3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
CID 66359025
3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine
CID 82807158
2-[(4-bromophenyl)methoxy]-N-propylcyclohexan-1-amine
CID 82832119
2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine
CID 82831438
3-ethoxy-N-(3-phenylpropyl)spiro[3.4]octan-1-amine
CID 64864412

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine (CID 82807037) is 3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine is CCCNC1CC(OCc2ccc(Br)cc2)C12CCCC2.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine?
The InChIKey is IZTKSGWDAXTZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-2-11-20-16-12-17(18(16)9-3-4-10-18)21-13-14-5-7-15(19)8-6-14/h5-8,16-17,20H,2-4,9-13H2,1H3.
What are the key properties of 3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine?
3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine has a molecular weight of 352.32 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine is sourced from PubChem (CID 82807037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).