(3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine

C15H23NO — CID 86325447

IUPAC(3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine
SMILESCC(C)c1ccc(COC[C@H]2CCNC2)cc1
InChIInChI=1S/C15H23NO/c1-12(2)15-5-3-13(4-6-15)10-17-11-14-7-8-16-9-14/h3-6,12,14,16H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyNFCNQLXKBSERSZ-AWEZNQCLSA-N
MW233.36 g/mol
LogP2.94
Rot. Bonds5

About (3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine

(3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine (PubChem CID 86325447) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine
PubChem CID86325447
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine
SMILESCC(C)c1ccc(COC[C@H]2CCNC2)cc1
InChIInChI=1S/C15H23NO/c1-12(2)15-5-3-13(4-6-15)10-17-11-14-7-8-16-9-14/h3-6,12,14,16H,7-11H2,1-2H3/t14-/m0/s1
InChIKeyNFCNQLXKBSERSZ-AWEZNQCLSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine
CID 55060808
3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
4-[(4-ethylphenyl)methoxymethyl]piperidine
CID 55060614
methyl 4-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate
CID 86321712
(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
4-(pyrrolidin-3-ylmethoxymethyl)benzamide
CID 55064845
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
CID 35754092
(3R)-3-[(4-propan-2-ylphenyl)methoxy]piperidine
CID 86322666
(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86321098
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine (CID 86325447) is (3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine is CC(C)c1ccc(COC[C@H]2CCNC2)cc1.
What is the InChIKey of (3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine?
The InChIKey is NFCNQLXKBSERSZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)15-5-3-13(4-6-15)10-17-11-14-7-8-16-9-14/h3-6,12,14,16H,7-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine?
(3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine has a molecular weight of 233.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 86325447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).