(2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

C16H23FN2O — CID 115998037

IUPAC(2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCOc1cccc(C(N)C2CC3CCC(C2)N3C)c1F
InChIInChI=1S/C16H23FN2O/c1-19-11-6-7-12(19)9-10(8-11)16(18)13-4-3-5-14(20-2)15(13)17/h3-5,10-12,16H,6-9,18H2,1-2H3
InChIKeyKXNQOIJEWWGDTM-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.71
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

(2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 115998037) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID115998037
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCOc1cccc(C(N)C2CC3CCC(C2)N3C)c1F
InChIInChI=1S/C16H23FN2O/c1-19-11-6-7-12(19)9-10(8-11)16(18)13-4-3-5-14(20-2)15(13)17/h3-5,10-12,16H,6-9,18H2,1-2H3
InChIKeyKXNQOIJEWWGDTM-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine with MolForge

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Related Compounds

(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82807623
(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methanamine
CID 105025195
[(2-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265688
(2,6-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681101
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998021
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115997940
[2-cycloheptyl-1-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105329278
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
cyclooctyl-(2-fluoro-3-methoxyphenyl)methanol
CID 82808519
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 115998037) is (2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is COc1cccc(C(N)C2CC3CCC(C2)N3C)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is KXNQOIJEWWGDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-19-11-6-7-12(19)9-10(8-11)16(18)13-4-3-5-14(20-2)15(13)17/h3-5,10-12,16H,6-9,18H2,1-2H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
(2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 278.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 115998037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).