N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine

C20H24N2O — CID 57312448

IUPACN-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine
SMILESCOc1ccccc1CNC1C2CCN(C2)C1c1ccccc1
InChIInChI=1S/C20H24N2O/c1-23-18-10-6-5-9-16(18)13-21-19-17-11-12-22(14-17)20(19)15-7-3-2-4-8-15/h2-10,17,19-21H,11-14H2,1H3
InChIKeyGBNVFMBLQGKDSW-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.23
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine

N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine (PubChem CID 57312448) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine
PubChem CID57312448
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine
SMILESCOc1ccccc1CNC1C2CCN(C2)C1c1ccccc1
InChIInChI=1S/C20H24N2O/c1-23-18-10-6-5-9-16(18)13-21-19-17-11-12-22(14-17)20(19)15-7-3-2-4-8-15/h2-10,17,19-21H,11-14H2,1H3
InChIKeyGBNVFMBLQGKDSW-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67591095
N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67924228
2-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 19811853
N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)-phenylmethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67918767
(2S,3S,4S)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenyl-4-propan-2-ylpiperidin-3-amine
CID 15342230
(2S,3R)-N-[(2-methoxyphenyl)methyl]-2-[phenyl(thiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67825428
N-[(2-methoxyphenyl)methyl]adamantan-2-amine
CID 784414
(2R,3R)-1-benzyl-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54178989
(3S,7R,9S,10S)-10-benzhydryl-N-[(2-methoxyphenyl)methyl]-1-azatricyclo[5.3.1.03,8]undecan-9-amine
CID 10479040
(2S,3R)-N-[(2-methoxyphenyl)methyl]-2-[phenyl(pyridin-3-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 67918504
2-[(2,4-dichlorophenyl)-phenylmethyl]-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 57133817
(2S,3S,4S,7S)-6-[(2-methoxyphenyl)methyl]-3,4-diphenyl-1,6-diazatricyclo[6.2.2.02,7]dodecane
CID 10343107

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine (CID 57312448) is N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine is COc1ccccc1CNC1C2CCN(C2)C1c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine?
The InChIKey is GBNVFMBLQGKDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-23-18-10-6-5-9-16(18)13-21-19-17-11-12-22(14-17)20(19)15-7-3-2-4-8-15/h2-10,17,19-21H,11-14H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine?
N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine has a molecular weight of 308.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine is sourced from PubChem (CID 57312448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).