4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine

C22H28N2O — CID 70172233

IUPAC4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine
SMILESCOc1ccccc1CC1C2CCCC(N)(C2)NC1c1ccccc1
InChIInChI=1S/C22H28N2O/c1-25-20-12-6-5-10-17(20)14-19-18-11-7-13-22(23,15-18)24-21(19)16-8-3-2-4-9-16/h2-6,8-10,12,18-19,21,24H,7,11,13-15,23H2,1H3
InChIKeyCELOOQRHDQQOCC-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.04
Rot. Bonds4

About 4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine

4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine (PubChem CID 70172233) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine
PubChem CID70172233
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine
SMILESCOc1ccccc1CC1C2CCCC(N)(C2)NC1c1ccccc1
InChIInChI=1S/C22H28N2O/c1-25-20-12-6-5-10-17(20)14-19-18-11-7-13-22(23,15-18)24-21(19)16-8-3-2-4-9-16/h2-6,8-10,12,18-19,21,24H,7,11,13-15,23H2,1H3
InChIKeyCELOOQRHDQQOCC-UHFFFAOYSA-N
XLogP4.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6S)-6-[(2-methoxyphenyl)methyl]-5-phenylpiperazin-2-one
CID 68882474
N-[(2-methoxyphenyl)methyl]-2-phenyl-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepin-3-amine
CID 57144170
2-[(2-methoxyphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014088
[1-[(2-methoxyphenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65393215
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
3-ethyl-1-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64514568
(2S,3S)-2-benzhydryl-3-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-2-amine
CID 154259277
1-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 64516240
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene
CID 141394597

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine (CID 70172233) is 4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine is COc1ccccc1CC1C2CCCC(N)(C2)NC1c1ccccc1.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine?
The InChIKey is CELOOQRHDQQOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-25-20-12-6-5-10-17(20)14-19-18-11-7-13-22(23,15-18)24-21(19)16-8-3-2-4-9-16/h2-6,8-10,12,18-19,21,24H,7,11,13-15,23H2,1H3.
What are the key properties of 4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine?
4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine has a molecular weight of 336.48 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-3-phenyl-2-azabicyclo[3.3.1]nonan-1-amine is sourced from PubChem (CID 70172233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).