1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol

C17H25NO2 — CID 110022688

IUPAC1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccccc2OCC2CC2)C1
InChIInChI=1S/C17H25NO2/c1-13(19)15-8-9-18(10-15)11-16-4-2-3-5-17(16)20-12-14-6-7-14/h2-5,13-15,19H,6-12H2,1H3
InChIKeyQWJMGKUKGDHSQT-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.68
Rot. Bonds6

About 1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol

1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 110022688) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID110022688
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccccc2OCC2CC2)C1
InChIInChI=1S/C17H25NO2/c1-13(19)15-8-9-18(10-15)11-16-4-2-3-5-17(16)20-12-14-6-7-14/h2-5,13-15,19H,6-12H2,1H3
InChIKeyQWJMGKUKGDHSQT-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 110020455
(E)-3-[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 115966742
(3S)-1-[(2-butoxyphenyl)methyl]pyrrolidin-3-ol
CID 86795938
1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol
CID 111421969
(2S)-1-[4-[[(2-ethoxyphenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95273065
1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975773
N-[[1-[[2-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine
CID 54794563

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol (CID 110022688) is 1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2ccccc2OCC2CC2)C1.
What is the InChIKey of 1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is QWJMGKUKGDHSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(19)15-8-9-18(10-15)11-16-4-2-3-5-17(16)20-12-14-6-7-14/h2-5,13-15,19H,6-12H2,1H3.
What are the key properties of 1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 275.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110022688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).