(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine

C15H23NO — CID 176600541

IUPAC(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine
SMILESCc1ccc(OC[C@@H]2CCCN2)cc1C(C)C
InChIInChI=1S/C15H23NO/c1-11(2)15-9-14(7-6-12(15)3)17-10-13-5-4-8-16-13/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3/t13-/m0/s1
InChIKeyOZQGNDJAOANIQD-ZDUSSCGKSA-N
MW233.35 g/mol
LogP3.25
Rot. Bonds4

About (2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine

(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine (PubChem CID 176600541) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine
PubChem CID176600541
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine
SMILESCc1ccc(OC[C@@H]2CCCN2)cc1C(C)C
InChIInChI=1S/C15H23NO/c1-11(2)15-9-14(7-6-12(15)3)17-10-13-5-4-8-16-13/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3/t13-/m0/s1
InChIKeyOZQGNDJAOANIQD-ZDUSSCGKSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765
(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 28750009
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one
CID 99737462
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
(2S)-2-[(5-bromo-2-methylphenoxy)methyl]pyrrolidine
CID 107284582
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine
CID 115042134

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine?
The IUPAC name of (2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine (CID 176600541) is (2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine is Cc1ccc(OC[C@@H]2CCCN2)cc1C(C)C.
What is the InChIKey of (2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine?
The InChIKey is OZQGNDJAOANIQD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)15-9-14(7-6-12(15)3)17-10-13-5-4-8-16-13/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine?
(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine has a molecular weight of 233.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine is sourced from PubChem (CID 176600541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).