2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine

C18H28N2O — CID 103464090

IUPAC2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine
SMILESCOCC(NCC1CC2CCC(C1)N2C)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-20-16-8-9-17(20)11-14(10-16)12-19-18(13-21-2)15-6-4-3-5-7-15/h3-7,14,16-19H,8-13H2,1-2H3
InChIKeyVSULYVDHHXSYHF-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.84
Rot. Bonds6

About 2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine

2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine (PubChem CID 103464090) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine
PubChem CID103464090
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine
SMILESCOCC(NCC1CC2CCC(C1)N2C)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-20-16-8-9-17(20)11-14(10-16)12-19-18(13-21-2)15-6-4-3-5-7-15/h3-7,14,16-19H,8-13H2,1-2H3
InChIKeyVSULYVDHHXSYHF-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine
CID 103464163
2-[(2-methoxy-1-phenylethyl)amino]-1-phenylethanol
CID 103913587
N-(2-methoxy-1-phenylethyl)-1-methylpyrrolidin-3-amine
CID 103902264
1-(furan-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propan-1-amine
CID 62633818
2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine
CID 103464013
(1S)-N-[(1-methylpiperidin-4-yl)methyl]-2-methylsulfanyl-1-phenylethanamine
CID 99615093
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
N-(2-methoxy-1-phenylethyl)cyclopentanamine
CID 84596036
1-(4-fluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013394
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 60857323
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate
CID 138483017

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine?
The IUPAC name of 2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine (CID 103464090) is 2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for 2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine?
The canonical SMILES for 2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine is COCC(NCC1CC2CCC(C1)N2C)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine?
The InChIKey is VSULYVDHHXSYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20-16-8-9-17(20)11-14(10-16)12-19-18(13-21-2)15-6-4-3-5-7-15/h3-7,14,16-19H,8-13H2,1-2H3.
What are the key properties of 2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine?
2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine has a molecular weight of 288.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 103464090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).