2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H24N2O — CID 119054556

IUPAC2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc(CC2C(N)CC3CCC2N3C)cc1
InChIInChI=1S/C16H24N2O/c1-18-12-5-8-16(18)14(15(17)10-12)9-11-3-6-13(19-2)7-4-11/h3-4,6-7,12,14-16H,5,8-10,17H2,1-2H3
InChIKeyLETQWTUVKZKHQK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.05
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 119054556) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID119054556
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc(CC2C(N)CC3CCC2N3C)cc1
InChIInChI=1S/C16H24N2O/c1-18-12-5-8-16(18)14(15(17)10-12)9-11-3-6-13(19-2)7-4-11/h3-4,6-7,12,14-16H,5,8-10,17H2,1-2H3
InChIKeyLETQWTUVKZKHQK-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
(1R,2S,3R,5S)-2-benzyl-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 70607420
N-[[(2R,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamine
CID 174548164
2-[(4-methoxyphenyl)methyl]azetidine
CID 71756117
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methoxyphenyl)ethanone
CID 61234245
4-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 84787592
8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768377
2-(4-amino-3-bromophenyl)ethyl (1R,2S,3S,5S)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 25178151
5-methoxy-2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]aniline
CID 59353025
2-(4-amino-3-bromophenyl)ethyl (1R,2S,3S,5S)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
CID 25178150
N-[2-(4-methoxyphenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472958
2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79422834

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 119054556) is 2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is COc1ccc(CC2C(N)CC3CCC2N3C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LETQWTUVKZKHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-12-5-8-16(18)14(15(17)10-12)9-11-3-6-13(19-2)7-4-11/h3-4,6-7,12,14-16H,5,8-10,17H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 260.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 119054556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).