(3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine

C17H25NO2 — CID 150912606

IUPAC(3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine
SMILESCOc1ccc([C@H]2CNC[C@H]2C)cc1OC1CCCC1
InChIInChI=1S/C17H25NO2/c1-12-10-18-11-15(12)13-7-8-16(19-2)17(9-13)20-14-5-3-4-6-14/h7-9,12,14-15,18H,3-6,10-11H2,1-2H3/t12-,15+/m1/s1
InChIKeyLCHPGSLXWJRATL-DOMZBBRYSA-N
MW275.39 g/mol
LogP3.34
Rot. Bonds4

About (3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine

(3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine (PubChem CID 150912606) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine
PubChem CID150912606
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine
SMILESCOc1ccc([C@H]2CNC[C@H]2C)cc1OC1CCCC1
InChIInChI=1S/C17H25NO2/c1-12-10-18-11-15(12)13-7-8-16(19-2)17(9-13)20-14-5-3-4-6-14/h7-9,12,14-15,18H,3-6,10-11H2,1-2H3/t12-,15+/m1/s1
InChIKeyLCHPGSLXWJRATL-DOMZBBRYSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropan-1-amine
CID 70068192
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropyl]propan-2-ol
CID 70070788
5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
CID 71173537
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 54097599
(1R)-1-[(3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol
CID 141044567
(1R)-1-[(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylpyrrolidin-3-yl]ethanol
CID 69414823
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
(4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine
CID 58606780
methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 58598219

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine?
The IUPAC name of (3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine (CID 150912606) is (3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine.
What is the SMILES notation for (3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine?
The canonical SMILES for (3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine is COc1ccc([C@H]2CNC[C@H]2C)cc1OC1CCCC1.
What is the InChIKey of (3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine?
The InChIKey is LCHPGSLXWJRATL-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-10-18-11-15(12)13-7-8-16(19-2)17(9-13)20-14-5-3-4-6-14/h7-9,12,14-15,18H,3-6,10-11H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of (3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine?
(3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine has a molecular weight of 275.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine is sourced from PubChem (CID 150912606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).