1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine

C17H25NO — CID 164609782

IUPAC1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine
SMILESc1ccc([C@@H]2CCC[C@H](CCN3CCCC3)O2)cc1
InChIInChI=1S/C17H25NO/c1-2-7-15(8-3-1)17-10-6-9-16(19-17)11-14-18-12-4-5-13-18/h1-3,7-8,16-17H,4-6,9-14H2/t16-,17+/m1/s1
InChIKeyHRRSTZUNRHHAEU-SJORKVTESA-N
MW259.39 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine

1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine (PubChem CID 164609782) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine
PubChem CID164609782
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine
SMILESc1ccc([C@@H]2CCC[C@H](CCN3CCCC3)O2)cc1
InChIInChI=1S/C17H25NO/c1-2-7-15(8-3-1)17-10-6-9-16(19-17)11-14-18-12-4-5-13-18/h1-3,7-8,16-17H,4-6,9-14H2/t16-,17+/m1/s1
InChIKeyHRRSTZUNRHHAEU-SJORKVTESA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,6S)-2-butyl-6-phenyloxane
CID 131845672
4-methyl-2-phenyl-6-(pyrrolidin-1-ylmethyl)morpholine
CID 154400121
1-phenyl-2-[(2R,6S)-6-phenyloxan-2-yl]ethanone
CID 132849136
1-phenyl-2-(6-phenyloxan-2-yl)ethanone
CID 102133371
(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
(2S,5S)-2-(iodomethyl)-5-phenyloxolane
CID 101241677
(2S,5R)-2-(bromomethyl)-5-phenyloxolane
CID 23247977
4-[2-[(2R,6S)-6-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol
CID 14427397
(2R,6R)-2-phenyl-6-prop-1-en-2-yloxane
CID 25232129
(2R,6S)-6-phenyloxane-2-carbonitrile
CID 58035350
(2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane
CID 156851355
(6R)-2-(2-bromopropan-2-yl)-6-phenyloxane
CID 102038461

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine (CID 164609782) is 1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine is c1ccc([C@@H]2CCC[C@H](CCN3CCCC3)O2)cc1.
What is the InChIKey of 1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine?
The InChIKey is HRRSTZUNRHHAEU-SJORKVTESA-N. The full InChI is InChI=1S/C17H25NO/c1-2-7-15(8-3-1)17-10-6-9-16(19-17)11-14-18-12-4-5-13-18/h1-3,7-8,16-17H,4-6,9-14H2/t16-,17+/m1/s1.
What are the key properties of 1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine?
1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine has a molecular weight of 259.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine is sourced from PubChem (CID 164609782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).