[1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol

C14H22N2O2 — CID 117012337

IUPAC[1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
SMILESCCOc1ccc(N2CCC(CO)(NC)C2)cc1
InChIInChI=1S/C14H22N2O2/c1-3-18-13-6-4-12(5-7-13)16-9-8-14(10-16,11-17)15-2/h4-7,15,17H,3,8-11H2,1-2H3
InChIKeyQMXQDUKAFDYONH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.25
Rot. Bonds5

About [1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol

[1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol (PubChem CID 117012337) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
PubChem CID117012337
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol
SMILESCCOc1ccc(N2CCC(CO)(NC)C2)cc1
InChIInChI=1S/C14H22N2O2/c1-3-18-13-6-4-12(5-7-13)16-9-8-14(10-16,11-17)15-2/h4-7,15,17H,3,8-11H2,1-2H3
InChIKeyQMXQDUKAFDYONH-UHFFFAOYSA-N
XLogP1.25
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[1-(3-bromo-4-methylphenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012064
2-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-oxoacetic acid
CID 94287158
[4-(4-ethoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82087200
3-amino-1-(4-ethoxyphenyl)piperidine-3-carbonitrile
CID 117012910
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
[1-(4-ethoxyphenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024891
4-(4-ethoxyphenyl)piperazine-2,6-dione
CID 63789608
1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
2-[4-(methylamino)-1-phenylpiperidin-4-yl]acetic acid
CID 106821085
2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]-1,1,1-trifluoropropan-2-ol
CID 83982062
1-(4-ethoxyphenyl)-3-methylpyrrolidine
CID 143805515
[1-[(4-ethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928851

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol (CID 117012337) is [1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol is CCOc1ccc(N2CCC(CO)(NC)C2)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol?
The InChIKey is QMXQDUKAFDYONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-18-13-6-4-12(5-7-13)16-9-8-14(10-16,11-17)15-2/h4-7,15,17H,3,8-11H2,1-2H3.
What are the key properties of [1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol?
[1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol has a molecular weight of 250.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)-3-(methylamino)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).