(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol

C13H19NO2 — CID 103882936

IUPAC(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
SMILESCCOc1cccc(CN2CC[C@H](O)C2)c1
InChIInChI=1S/C13H19NO2/c1-2-16-13-5-3-4-11(8-13)9-14-7-6-12(15)10-14/h3-5,8,12,15H,2,6-7,9-10H2,1H3/t12-/m0/s1
InChIKeyPAXRLGOHTOEGCD-LBPRGKRZSA-N
MW221.30 g/mol
LogP1.65
Rot. Bonds4

About (3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol

(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol (PubChem CID 103882936) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
PubChem CID103882936
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
SMILESCCOc1cccc(CN2CC[C@H](O)C2)c1
InChIInChI=1S/C13H19NO2/c1-2-16-13-5-3-4-11(8-13)9-14-7-6-12(15)10-14/h3-5,8,12,15H,2,6-7,9-10H2,1H3/t12-/m0/s1
InChIKeyPAXRLGOHTOEGCD-LBPRGKRZSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222
1-[(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-yl]-4-ethylpiperazine
CID 124516544
[(3S,4R)-4-(dimethylamino)-1-[(3-ethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 71830135
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065761
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
2-[(2R)-1-cyclopentyl-4-[(3-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51901392
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 53193333
ethyl 4-[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 43920601

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol (CID 103882936) is (3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol is CCOc1cccc(CN2CC[C@H](O)C2)c1.
What is the InChIKey of (3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is PAXRLGOHTOEGCD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-16-13-5-3-4-11(8-13)9-14-7-6-12(15)10-14/h3-5,8,12,15H,2,6-7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol?
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103882936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).