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

C14H21NO — CID 28750009

IUPAC(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
SMILESCC(C)c1ccccc1OC[C@@H]1CCCN1
InChIInChI=1S/C14H21NO/c1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyMZFZGHMBMYTIEJ-LBPRGKRZSA-N
MW219.33 g/mol
LogP2.94
Rot. Bonds4

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

(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine (PubChem CID 28750009) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
PubChem CID28750009
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
SMILESCC(C)c1ccccc1OC[C@@H]1CCCN1
InChIInChI=1S/C14H21NO/c1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyMZFZGHMBMYTIEJ-LBPRGKRZSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 43149996
2-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 82354053
(2R)-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrrolidine
CID 102820256
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
N-[2-(2-propan-2-ylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119784417
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine
CID 176600541
N-[1-(2-ethoxyphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602862
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 122208651
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
2-[(2,3-dimethylphenoxy)methyl]piperidine
CID 43823216

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine?
The IUPAC name of (2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine (CID 28750009) is (2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine is CC(C)c1ccccc1OC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine?
The InChIKey is MZFZGHMBMYTIEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12/h3-4,7-8,11-12,15H,5-6,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine?
(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine is sourced from PubChem (CID 28750009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).