3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine

C16H22FNO — CID 66353126

IUPAC3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
SMILESCNC1CC(OCc2ccccc2F)C12CCCC2
InChIInChI=1S/C16H22FNO/c1-18-14-10-15(16(14)8-4-5-9-16)19-11-12-6-2-3-7-13(12)17/h2-3,6-7,14-15,18H,4-5,8-11H2,1H3
InChIKeyOHLKSCIMLZHRPM-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.26
Rot. Bonds4

About 3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine

3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine (PubChem CID 66353126) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
PubChem CID66353126
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
SMILESCNC1CC(OCc2ccccc2F)C12CCCC2
InChIInChI=1S/C16H22FNO/c1-18-14-10-15(16(14)8-4-5-9-16)19-11-12-6-2-3-7-13(12)17/h2-3,6-7,14-15,18H,4-5,8-11H2,1H3
InChIKeyOHLKSCIMLZHRPM-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol
CID 66345231
3-bromo-1-[(2-fluorophenyl)methoxy]spiro[3.6]decane
CID 66345184
3-ethoxy-N-[(2-fluorophenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295573
3-[(4-methoxyphenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
CID 66359025
3-[(3-chlorophenyl)methoxy]-N-methylspiro[3.5]nonan-1-amine
CID 66349861
3-[(3-bromophenyl)methoxy]-N-methylspiro[3.6]decan-1-amine
CID 82807158
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
1-[1-[(2-fluorophenyl)methoxy]cyclopentyl]-N-methylmethanamine
CID 63934468
3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol
CID 66345232
3-(2,2-difluoroethoxy)-N-methylspiro[3.6]decan-1-amine
CID 82009336
N-methyl-3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357764

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine (CID 66353126) is 3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine is CNC1CC(OCc2ccccc2F)C12CCCC2.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine?
The InChIKey is OHLKSCIMLZHRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-18-14-10-15(16(14)8-4-5-9-16)19-11-12-6-2-3-7-13(12)17/h2-3,6-7,14-15,18H,4-5,8-11H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine?
3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine is sourced from PubChem (CID 66353126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).