4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine

C15H23N3O — CID 105365215

IUPAC4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOc1ccccc1NC1(CN)CCN2CCC1C2
InChIInChI=1S/C15H23N3O/c1-19-14-5-3-2-4-13(14)17-15(11-16)7-9-18-8-6-12(15)10-18/h2-5,12,17H,6-11,16H2,1H3
InChIKeyPWBPJPGGHBONCR-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.53
Rot. Bonds4

About 4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine

4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105365215) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105365215
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOc1ccccc1NC1(CN)CCN2CCC1C2
InChIInChI=1S/C15H23N3O/c1-19-14-5-3-2-4-13(14)17-15(11-16)7-9-18-8-6-12(15)10-18/h2-5,12,17H,6-11,16H2,1H3
InChIKeyPWBPJPGGHBONCR-UHFFFAOYSA-N
XLogP1.53
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-ol
CID 105366009
3-(2-methoxyanilino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 60993873
N-(2-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121544
N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline
CID 65383362
ethyl 4-anilino-1-azabicyclo[3.2.1]octane-4-carboxylate
CID 105365412
[1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol
CID 62975143
1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449310
4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
CID 60996320
[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol
CID 62704863
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43186953
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950521
3-fluoro-1-[(2-methoxyphenoxy)methyl]pyrrolidine
CID 141066330

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105365215) is 4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine is COc1ccccc1NC1(CN)CCN2CCC1C2.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is PWBPJPGGHBONCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-19-14-5-3-2-4-13(14)17-15(11-16)7-9-18-8-6-12(15)10-18/h2-5,12,17H,6-11,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine?
4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 261.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105365215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).