(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine

C15H23NO — CID 86321098

IUPAC(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine
SMILESCc1ccc(C(C)C)cc1OC[C@@H]1CCNC1
InChIInChI=1S/C15H23NO/c1-11(2)14-5-4-12(3)15(8-14)17-10-13-6-7-16-9-13/h4-5,8,11,13,16H,6-7,9-10H2,1-3H3/t13-/m1/s1
InChIKeyYPQUGBVSYKFKJE-CYBMUJFWSA-N
MW233.35 g/mol
LogP3.11
Rot. Bonds4

About (3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine

(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine (PubChem CID 86321098) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine
PubChem CID86321098
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine
SMILESCc1ccc(C(C)C)cc1OC[C@@H]1CCNC1
InChIInChI=1S/C15H23NO/c1-11(2)14-5-4-12(3)15(8-14)17-10-13-6-7-16-9-13/h4-5,8,11,13,16H,6-7,9-10H2,1-3H3/t13-/m1/s1
InChIKeyYPQUGBVSYKFKJE-CYBMUJFWSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81004753
(3S)-3-[[2-bromo-4-[(2S)-butan-2-yl]phenoxy]methyl]pyrrolidine
CID 86320096
2-(2-methyl-5-propan-2-ylphenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119537381
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
(3S)-3-[(4-iodo-2-methylphenoxy)methyl]pyrrolidine;hydrochloride
CID 166175538
(3S)-3-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86320109
2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208694
4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene
CID 134553642
[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol
CID 123665502
(3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine
CID 86325447
2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline
CID 115209825

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine?
The IUPAC name of (3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine (CID 86321098) is (3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine is Cc1ccc(C(C)C)cc1OC[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine?
The InChIKey is YPQUGBVSYKFKJE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)14-5-4-12(3)15(8-14)17-10-13-6-7-16-9-13/h4-5,8,11,13,16H,6-7,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine?
(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine has a molecular weight of 233.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine is sourced from PubChem (CID 86321098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).