(1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane

C18H27NO2 — CID 58479333

IUPAC(1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(OC2C[C@H]3CC[C@@H](C2)N3)c(COC(C)C)c1
InChIInChI=1S/C18H27NO2/c1-12(2)20-11-14-8-13(3)4-7-18(14)21-17-9-15-5-6-16(10-17)19-15/h4,7-8,12,15-17,19H,5-6,9-11H2,1-3H3/t15-,16+,17?
InChIKeyDQESAGGBKUAENF-SJPCQFCGSA-N
MW289.42 g/mol
LogP3.58
Rot. Bonds5

About (1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane

(1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 58479333) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane
PubChem CID58479333
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane
SMILESCc1ccc(OC2C[C@H]3CC[C@@H](C2)N3)c(COC(C)C)c1
InChIInChI=1S/C18H27NO2/c1-12(2)20-11-14-8-13(3)4-7-18(14)21-17-9-15-5-6-16(10-17)19-15/h4,7-8,12,15-17,19H,5-6,9-11H2,1-3H3/t15-,16+,17?
InChIKeyDQESAGGBKUAENF-SJPCQFCGSA-N
XLogP3.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[(2-cyclobutyloxy-5-methylphenyl)methyl]hydroxylamine
CID 117296439
N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
CID 55204170
(2-cyclobutyloxy-5-methylphenyl)methanol
CID 84664151
2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)oxy-4-methylbenzene
CID 64735526
3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane
CID 16678459
N-[[2-(3,5-dimethylcyclohexyl)oxy-5-methylphenyl]methyl]cyclopropanamine
CID 64736289
3-[(3,5-dimethylphenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 114199669
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]acetamide;hydrochloride
CID 119812554
2-[(2-cyclobutyloxy-5-methylphenyl)methyl]pyrrolidine
CID 117366139
[5-methyl-2-(oxan-4-yloxy)phenyl]methanamine
CID 63936820
1-chloroethyl carbonochloridate;1-chloroethyl (1S,5R)-3-(4-methyl-2-propoxyphenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate;(1S,5R)-8-methyl-3-(4-methyl-2-propoxyphenoxy)-8-azabicyclo[3.2.1]octane;(1S,5R)-3-(4-methyl-2-propoxyphenoxy)-8-azabicyclo[3.2.1]octane;hydrochloride
CID 159060731
2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776286

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane (CID 58479333) is (1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane is Cc1ccc(OC2C[C@H]3CC[C@@H](C2)N3)c(COC(C)C)c1.
What is the InChIKey of (1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is DQESAGGBKUAENF-SJPCQFCGSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12(2)20-11-14-8-13(3)4-7-18(14)21-17-9-15-5-6-16(10-17)19-15/h4,7-8,12,15-17,19H,5-6,9-11H2,1-3H3/t15-,16+,17?.
What are the key properties of (1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 289.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-[4-methyl-2-(propan-2-yloxymethyl)phenoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58479333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).