1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol

C12H19NO2 — CID 112509819

IUPAC1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
SMILESCCOc1ccc(C(O)CCNC)cc1
InChIInChI=1S/C12H19NO2/c1-3-15-11-6-4-10(5-7-11)12(14)8-9-13-2/h4-7,12-14H,3,8-9H2,1-2H3
InChIKeyXEZVDHNIRKDUBG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol

1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol (PubChem CID 112509819) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
PubChem CID112509819
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
SMILESCCOc1ccc(C(O)CCNC)cc1
InChIInChI=1S/C12H19NO2/c1-3-15-11-6-4-10(5-7-11)12(14)8-9-13-2/h4-7,12-14H,3,8-9H2,1-2H3
InChIKeyXEZVDHNIRKDUBG-UHFFFAOYSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-1-(4-methylphenyl)propan-1-ol
CID 22925331
1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
1-(4-ethoxyphenyl)-4-methylsulfanylbutan-1-ol
CID 103089990
1-(4-ethoxyphenyl)pent-4-en-1-ol
CID 115804789
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
3-(methylamino)-1-(4-propylphenyl)propan-1-ol
CID 112509803
2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 82313995
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
amino-(4-ethoxyphenyl)methanol
CID 116939610
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
1-(aziridin-1-yl)-4-(4-ethoxyphenyl)-4-hydroxybutan-1-one
CID 112510367

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol (CID 112509819) is 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol is CCOc1ccc(C(O)CCNC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol?
The InChIKey is XEZVDHNIRKDUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-15-11-6-4-10(5-7-11)12(14)8-9-13-2/h4-7,12-14H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol?
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 112509819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).