2-(methylamino)-1-(4-propoxyphenyl)ethanol

C12H19NO2 — CID 62772547

IUPAC2-(methylamino)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CNC)cc1
InChIInChI=1S/C12H19NO2/c1-3-8-15-11-6-4-10(5-7-11)12(14)9-13-2/h4-7,12-14H,3,8-9H2,1-2H3
InChIKeyYYUCWQZKYIXBIK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds6

About 2-(methylamino)-1-(4-propoxyphenyl)ethanol

2-(methylamino)-1-(4-propoxyphenyl)ethanol (PubChem CID 62772547) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(4-propoxyphenyl)ethanol
PubChem CID62772547
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(methylamino)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)CNC)cc1
InChIInChI=1S/C12H19NO2/c1-3-8-15-11-6-4-10(5-7-11)12(14)9-13-2/h4-7,12-14H,3,8-9H2,1-2H3
InChIKeyYYUCWQZKYIXBIK-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

2-(pentylamino)-1-(4-propoxyphenyl)ethanol
CID 82314080
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
CID 82314072
N'-methyl-2-(4-propoxyphenyl)propane-1,3-diamine
CID 20546440
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314079
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
[4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl] acetate
CID 95004375
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
3-[[2-hydroxy-2-(4-propoxyphenyl)ethyl]-methylamino]propanoic acid
CID 82216140
3-cyclopropyl-1-(4-propoxyphenyl)propan-1-ol
CID 106590416

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-propoxyphenyl)ethanol?
The IUPAC name of 2-(methylamino)-1-(4-propoxyphenyl)ethanol (CID 62772547) is 2-(methylamino)-1-(4-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(4-propoxyphenyl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(4-propoxyphenyl)ethanol is CCCOc1ccc(C(O)CNC)cc1.
What is the InChIKey of 2-(methylamino)-1-(4-propoxyphenyl)ethanol?
The InChIKey is YYUCWQZKYIXBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-8-15-11-6-4-10(5-7-11)12(14)9-13-2/h4-7,12-14H,3,8-9H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(4-propoxyphenyl)ethanol?
2-(methylamino)-1-(4-propoxyphenyl)ethanol 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 2-(methylamino)-1-(4-propoxyphenyl)ethanol is sourced from PubChem (CID 62772547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).