N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine

C17H26N2O — CID 66393061

IUPACN-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)N1CC2CCC(C1)O2
InChIInChI=1S/C17H26N2O/c1-12-4-6-14(7-5-12)17(18-3)13(2)19-10-15-8-9-16(11-19)20-15/h4-7,13,15-18H,8-11H2,1-3H3
InChIKeyIMNFOJCEFDQBBC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.51
Rot. Bonds4

About N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine

N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine (PubChem CID 66393061) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
PubChem CID66393061
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
SMILESCNC(c1ccc(C)cc1)C(C)N1CC2CCC(C1)O2
InChIInChI=1S/C17H26N2O/c1-12-4-6-14(7-5-12)17(18-3)13(2)19-10-15-8-9-16(11-19)20-15/h4-7,13,15-18H,8-11H2,1-3H3
InChIKeyIMNFOJCEFDQBBC-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine with MolForge

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Related Compounds

N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495133
1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66391753
1-(methylamino)-1-(4-methylphenyl)propan-2-ol
CID 116859377
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-methylphenyl)propan-1-ol
CID 115561355
1-[3-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine
CID 66391336
1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 102965616
1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960972
N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine
CID 63169857
1-(4-methoxyphenyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62986927
2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 63610006
1-(4-bromophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960974
1-(4-ethylphenyl)-N-methyl-2-(4-methylazepan-1-yl)propan-1-amine
CID 63624077

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine (CID 66393061) is N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine is CNC(c1ccc(C)cc1)C(C)N1CC2CCC(C1)O2.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
The InChIKey is IMNFOJCEFDQBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-4-6-14(7-5-12)17(18-3)13(2)19-10-15-8-9-16(11-19)20-15/h4-7,13,15-18H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine is sourced from PubChem (CID 66393061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).