8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H22N2O — CID 61233101

IUPAC8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1cccc(CN2C3CCC2CC(N)C3)c1
InChIInChI=1S/C15H22N2O/c1-18-15-4-2-3-11(7-15)10-17-13-5-6-14(17)9-12(16)8-13/h2-4,7,12-14H,5-6,8-10,16H2,1H3
InChIKeyFHSFGUBXWQPZQH-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.15
Rot. Bonds3

About 8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61233101) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61233101
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1cccc(CN2C3CCC2CC(N)C3)c1
InChIInChI=1S/C15H22N2O/c1-18-15-4-2-3-11(7-15)10-17-13-5-6-14(17)9-12(16)8-13/h2-4,7,12-14H,5-6,8-10,16H2,1H3
InChIKeyFHSFGUBXWQPZQH-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 139648283
8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
CID 154583235
8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 102877720
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
3-[[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile
CID 67276098
8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233276
(1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane
CID 121495039
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62992716
8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82892806
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61233101) is 8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is COc1cccc(CN2C3CCC2CC(N)C3)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FHSFGUBXWQPZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-18-15-4-2-3-11(7-15)10-17-13-5-6-14(17)9-12(16)8-13/h2-4,7,12-14H,5-6,8-10,16H2,1H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 246.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61233101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).