(2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane

C17H24N2O — CID 56911529

IUPAC(2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane
SMILESCOc1ccccc1[C@@H]1CN(C)[C@@H]2C3CCN(CC3)[C@@H]21
InChIInChI=1S/C17H24N2O/c1-18-11-14(13-5-3-4-6-15(13)20-2)17-16(18)12-7-9-19(17)10-8-12/h3-6,12,14,16-17H,7-11H2,1-2H3/t14-,16+,17+/m0/s1
InChIKeyHZFQUJMXKFUDPA-USXIJHARSA-N
MW272.39 g/mol
LogP2.19
Rot. Bonds2

About (2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane

(2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane (PubChem CID 56911529) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane.

Molecular Properties

Compound Name(2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane
PubChem CID56911529
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane
SMILESCOc1ccccc1[C@@H]1CN(C)[C@@H]2C3CCN(CC3)[C@@H]21
InChIInChI=1S/C17H24N2O/c1-18-11-14(13-5-3-4-6-15(13)20-2)17-16(18)12-7-9-19(17)10-8-12/h3-6,12,14,16-17H,7-11H2,1-2H3/t14-,16+,17+/m0/s1
InChIKeyHZFQUJMXKFUDPA-USXIJHARSA-N
XLogP2.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R,6S)-3-(2-methoxyphenyl)-5-pyrimidin-2-yl-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 133117077
[(2R,3S,6R)-3-(2-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(1-methylpyrazol-3-yl)methanone
CID 56895944
[(2R,3R,6R)-3-(2-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 56898075
2-cyclopropyl-1-[(2R,3R,6R)-3-(2-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]ethanone
CID 56893305
1-[(2R,3R,6R)-3-(2-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]pentan-1-one
CID 56915748
(2R,3R,6R)-5-(1H-imidazol-2-ylmethyl)-3-(2-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56896542
6-[(2S,3R,6S)-3-(2-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane-5-carbonyl]-1H-pyrimidine-2,4-dione
CID 133115190
[(2R,3R,6R)-3-(2-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 56907663
2-[(2S,3R,6S)-3-(2-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-1,3-thiazole-4-carboxamide
CID 133138807
1-cyclopentyl-3-(2-methoxyphenyl)pyrrolidine
CID 86814277
4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82395877
1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane?
The IUPAC name of (2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane (CID 56911529) is (2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane.
What is the SMILES notation for (2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane?
The canonical SMILES for (2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane is COc1ccccc1[C@@H]1CN(C)[C@@H]2C3CCN(CC3)[C@@H]21.
What is the InChIKey of (2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane?
The InChIKey is HZFQUJMXKFUDPA-USXIJHARSA-N. The full InChI is InChI=1S/C17H24N2O/c1-18-11-14(13-5-3-4-6-15(13)20-2)17-16(18)12-7-9-19(17)10-8-12/h3-6,12,14,16-17H,7-11H2,1-2H3/t14-,16+,17+/m0/s1.
What are the key properties of (2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane?
(2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane has a molecular weight of 272.39 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-3-(2-methoxyphenyl)-5-methyl-1,5-diazatricyclo[5.2.2.02,6]undecane is sourced from PubChem (CID 56911529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).