(3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol

C18H21NO2 — CID 129362083

IUPAC(3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol
SMILESC[C@H]1C[C@](O)(c2ccc(OCc3ccccc3)cc2)CN1
InChIInChI=1S/C18H21NO2/c1-14-11-18(20,13-19-14)16-7-9-17(10-8-16)21-12-15-5-3-2-4-6-15/h2-10,14,19-20H,11-13H2,1H3/t14-,18+/m0/s1
InChIKeyGJVFYFULSAEJSE-KBXCAEBGSA-N
MW283.37 g/mol
LogP2.84
Rot. Bonds4

About (3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol

(3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol (PubChem CID 129362083) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol
PubChem CID129362083
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol
SMILESC[C@H]1C[C@](O)(c2ccc(OCc3ccccc3)cc2)CN1
InChIInChI=1S/C18H21NO2/c1-14-11-18(20,13-19-14)16-7-9-17(10-8-16)21-12-15-5-3-2-4-6-15/h2-10,14,19-20H,11-13H2,1H3/t14-,18+/m0/s1
InChIKeyGJVFYFULSAEJSE-KBXCAEBGSA-N
XLogP2.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 130577384
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CID 102404566
(2S,3S,5R)-5-methyl-2-(4-phenylmethoxyphenyl)-3-propan-2-ylmorpholin-2-ol
CID 102404563
2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine
CID 21421702
1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
CID 59016188
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
(2R,5S)-2,5-bis[(4-phenylmethoxyphenyl)methyl]piperazine
CID 171348097
2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 151797160
(2R,5S)-5-methyl-2-(4-phenylmethoxyphenyl)piperidine
CID 169114961
3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375582
4-(2-hydroxyethyl)-3-methyl-2-(4-phenylmethoxyphenyl)morpholin-2-ol
CID 141298274

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol (CID 129362083) is (3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol is C[C@H]1C[C@](O)(c2ccc(OCc3ccccc3)cc2)CN1.
What is the InChIKey of (3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol?
The InChIKey is GJVFYFULSAEJSE-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-11-18(20,13-19-14)16-7-9-17(10-8-16)21-12-15-5-3-2-4-6-15/h2-10,14,19-20H,11-13H2,1H3/t14-,18+/m0/s1.
What are the key properties of (3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol?
(3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol has a molecular weight of 283.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 129362083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).