N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine

C22H28N2O — CID 18982907

IUPACN-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine
SMILESCOc1ccccc1CNC1C2CC(C)C(C2)NC1c1ccccc1
InChIInChI=1S/C22H28N2O/c1-15-12-18-13-19(15)24-22(16-8-4-3-5-9-16)21(18)23-14-17-10-6-7-11-20(17)25-2/h3-11,15,18-19,21-24H,12-14H2,1-2H3
InChIKeyQFEWHCGVAKDCSF-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.91
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine

N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine (PubChem CID 18982907) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine
PubChem CID18982907
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine
SMILESCOc1ccccc1CNC1C2CC(C)C(C2)NC1c1ccccc1
InChIInChI=1S/C22H28N2O/c1-15-12-18-13-19(15)24-22(16-8-4-3-5-9-16)21(18)23-14-17-10-6-7-11-20(17)25-2/h3-11,15,18-19,21-24H,12-14H2,1-2H3
InChIKeyQFEWHCGVAKDCSF-UHFFFAOYSA-N
XLogP3.91
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-8-methyl-3-phenyl-2-azabicyclo[3.3.1]nonan-4-amine
CID 18982909
N-[(2-methoxyphenyl)methyl]adamantan-2-amine
CID 784414
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
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine
CID 18982919
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine
CID 57312448
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
N-[(2-methoxyphenyl)methyl]-3-phenyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 23176521
N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine
CID 19012926

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine (CID 18982907) is N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine is COc1ccccc1CNC1C2CC(C)C(C2)NC1c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is QFEWHCGVAKDCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-15-12-18-13-19(15)24-22(16-8-4-3-5-9-16)21(18)23-14-17-10-6-7-11-20(17)25-2/h3-11,15,18-19,21-24H,12-14H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine?
N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 336.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-7-methyl-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 18982907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).