2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol

C12H19NO2 — CID 61166956

IUPAC2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
SMILESCc1ccc(OCC(C)NCCO)cc1
InChIInChI=1S/C12H19NO2/c1-10-3-5-12(6-4-10)15-9-11(2)13-7-8-14/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyPIKJHJIRFJQTKV-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.34
Rot. Bonds6

About 2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol

2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol (PubChem CID 61166956) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
PubChem CID61166956
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
SMILESCc1ccc(OCC(C)NCCO)cc1
InChIInChI=1S/C12H19NO2/c1-10-3-5-12(6-4-10)15-9-11(2)13-7-8-14/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyPIKJHJIRFJQTKV-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol
CID 107703257
N',N'-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]propane-1,3-diamine
CID 114525099
N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine
CID 61168340
ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate
CID 61168707
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol
CID 114492877
(E)-4-chloro-N-[1-(4-methylphenoxy)propan-2-yl]but-2-en-1-amine
CID 81430543
N'-hydroxy-2,2-dimethyl-4-[1-(4-methylphenoxy)propan-2-ylamino]butanimidamide
CID 77062218
2,3-dichloro-N-[1-(4-methylphenoxy)propan-2-yl]prop-2-en-1-amine
CID 79168016
N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide
CID 61489179
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
2,2-dimethyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanoic acid
CID 79623844
2-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]prop-2-enoic acid
CID 103242898

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol?
The IUPAC name of 2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol (CID 61166956) is 2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol?
The canonical SMILES for 2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol is Cc1ccc(OCC(C)NCCO)cc1.
What is the InChIKey of 2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol?
The InChIKey is PIKJHJIRFJQTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-3-5-12(6-4-10)15-9-11(2)13-7-8-14/h3-6,11,13-14H,7-9H2,1-2H3.
What are the key properties of 2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol?
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol is sourced from PubChem (CID 61166956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).