(1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane

C19H20ClNO — CID 16678084

IUPAC(1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane
SMILESClc1cc(OC2C[C@H]3CC[C@@H](C2)N3)cc(-c2ccccc2)c1
InChIInChI=1S/C19H20ClNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19?
InChIKeyGYNVBZHVGBAXPA-JJTKIYQPSA-N
MW313.83 g/mol
LogP4.67
Rot. Bonds3

About (1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane

(1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane (PubChem CID 16678084) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane
PubChem CID16678084
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane
SMILESClc1cc(OC2C[C@H]3CC[C@@H](C2)N3)cc(-c2ccccc2)c1
InChIInChI=1S/C19H20ClNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19?
InChIKeyGYNVBZHVGBAXPA-JJTKIYQPSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-3-[(S)-(3,5-dichlorophenoxy)phenylmethyl]pyrrolidine
CID 44625571
4-{3-[(3-Chlorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263314
4-{3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263322
4-{3-[(1R)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263323
4-{3-[1-(3-Chlorophenyl)propoxy]-2-methylphenyl}piperidine
CID 25263324
4-[3-(3-Chlorophenoxymethyl)-2-methylphenyl]piperidine
CID 25263342
4-(2-(3-Chlorophenoxy)phenyl)piperidine
CID 45483512
(3R)-3-[(S)-(3-chlorophenoxy)-phenylmethyl]pyrrolidine
CID 71562376
(3S)-3-[(R)-(4-chloro-2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562713
4-[(4-Chloro-phenyl)-phenoxy-methyl]-piperidine
CID 9817856
3-(3-Chlorophenoxy)-8-azabicyclo[3.2.1]octane
CID 11230136
3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 12807452

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane (CID 16678084) is (1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane is Clc1cc(OC2C[C@H]3CC[C@@H](C2)N3)cc(-c2ccccc2)c1.
What is the InChIKey of (1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane?
The InChIKey is GYNVBZHVGBAXPA-JJTKIYQPSA-N. The full InChI is InChI=1S/C19H20ClNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19?.
What are the key properties of (1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane has a molecular weight of 313.83 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(3-chloro-5-phenylphenoxy)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 16678084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).