3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine

C22H21NO2 — CID 59371597

IUPAC3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine
SMILESc1ccc(COc2cncc([C@H]3C[C@H]3COc3ccccc3)c2)cc1
InChIInChI=1S/C22H21NO2/c1-3-7-17(8-4-1)15-24-21-11-18(13-23-14-21)22-12-19(22)16-25-20-9-5-2-6-10-20/h1-11,13-14,19,22H,12,15-16H2/t19-,22+/m0/s1
InChIKeyXXRNSTNVYSGNCD-SIKLNZKXSA-N
MW331.42 g/mol
LogP4.84
Rot. Bonds7

About 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine

3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine (PubChem CID 59371597) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine.

Molecular Properties

Compound Name3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine
PubChem CID59371597
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine
SMILESc1ccc(COc2cncc([C@H]3C[C@H]3COc3ccccc3)c2)cc1
InChIInChI=1S/C22H21NO2/c1-3-7-17(8-4-1)15-24-21-11-18(13-23-14-21)22-12-19(22)16-25-20-9-5-2-6-10-20/h1-11,13-14,19,22H,12,15-16H2/t19-,22+/m0/s1
InChIKeyXXRNSTNVYSGNCD-SIKLNZKXSA-N
XLogP4.84
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylmethoxy-5-[(1S,2S)-2-(pyridin-3-yloxymethyl)cyclopropyl]pyridine
CID 68612157
2-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]ethanol
CID 56951233
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]pyridine
CID 59371464
methyl (E)-3-[(1R,2S)-2-(5-phenylmethoxy-3-pyridinyl)cyclopropyl]prop-2-enoate
CID 71746220
5-phenylmethoxypyridin-3-amine
CID 22989735
3-bromo-5-phenylmethoxypyridine
CID 15389198
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine
CID 59371451
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine
CID 68613474
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(phenoxymethyl)cyclopropyl]pyridine;tert-butyl (2S)-2-[[5-[(1S,2S)-2-(phenoxymethyl)cyclopropyl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate;methane
CID 160670184
N-[[2-(4-phenylmethoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62703658
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine?
The IUPAC name of 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine (CID 59371597) is 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine.
What is the SMILES notation for 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine?
The canonical SMILES for 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine is c1ccc(COc2cncc([C@H]3C[C@H]3COc3ccccc3)c2)cc1.
What is the InChIKey of 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine?
The InChIKey is XXRNSTNVYSGNCD-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H21NO2/c1-3-7-17(8-4-1)15-24-21-11-18(13-23-14-21)22-12-19(22)16-25-20-9-5-2-6-10-20/h1-11,13-14,19,22H,12,15-16H2/t19-,22+/m0/s1.
What are the key properties of 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine?
3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine has a molecular weight of 331.42 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-2-(phenoxymethyl)cyclopropyl]-5-phenylmethoxypyridine is sourced from PubChem (CID 59371597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).