(1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane

C23H29NO — CID 10449632

IUPAC(1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCCc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2)cc1
InChIInChI=1S/C23H29NO/c1-3-17-9-11-19(12-10-17)23(18-7-5-4-6-8-18)25-22-15-20-13-14-21(16-22)24(20)2/h4-12,20-23H,3,13-16H2,1-2H3/t20-,21+,22?,23?
InChIKeyUMUSLRLIVUOUJJ-OIRDZHBESA-N
MW335.49 g/mol
LogP4.98
Rot. Bonds5

About (1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane

(1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 10449632) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID10449632
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCCc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2)cc1
InChIInChI=1S/C23H29NO/c1-3-17-9-11-19(12-10-17)23(18-7-5-4-6-8-18)25-22-15-20-13-14-21(16-22)24(20)2/h4-12,20-23H,3,13-16H2,1-2H3/t20-,21+,22?,23?
InChIKeyUMUSLRLIVUOUJJ-OIRDZHBESA-N
XLogP4.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy-phenylmethyl]benzonitrile
CID 10336882
(1R,5R)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;methanesulfonic acid
CID 8584
3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 70187669
(1R,5S)-3-[bis(4-methylphenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 10088338
(1S,5R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 24978533
4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid
CID 67830997
3-[(3-chlorophenyl)-(4-chlorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 101101023
7-[4-[(4-ethylphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 139601792
8-benzyl-3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
CID 12068491
8-benzyl-3-[bis(4-chlorophenyl)methoxy]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 45265393
(1R,5S)-3-[bis(4-chlorophenyl)methoxy]-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octane
CID 10576691
4-benzhydryloxy-1-ethyl-2,6-dimethylpiperidine
CID 154211162

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane (CID 10449632) is (1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane is CCc1ccc(C(OC2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2)cc1.
What is the InChIKey of (1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is UMUSLRLIVUOUJJ-OIRDZHBESA-N. The full InChI is InChI=1S/C23H29NO/c1-3-17-9-11-19(12-10-17)23(18-7-5-4-6-8-18)25-22-15-20-13-14-21(16-22)24(20)2/h4-12,20-23H,3,13-16H2,1-2H3/t20-,21+,22?,23?.
What are the key properties of (1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 335.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[(4-ethylphenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10449632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).