1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol

C19H25NO3 — CID 86734673

IUPAC1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1cc(CO)cc(OCc2ccccc2)c1
InChIInChI=1S/C19H25NO3/c1-14(2)20-11-19(22)17-8-16(12-21)9-18(10-17)23-13-15-6-4-3-5-7-15/h3-10,14,19-22H,11-13H2,1-2H3
InChIKeyRAWDZXYFYOXCDG-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.79
Rot. Bonds8

About 1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol

1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol (PubChem CID 86734673) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol
PubChem CID86734673
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1cc(CO)cc(OCc2ccccc2)c1
InChIInChI=1S/C19H25NO3/c1-14(2)20-11-19(22)17-8-16(12-21)9-18(10-17)23-13-15-6-4-3-5-7-15/h3-10,14,19-22H,11-13H2,1-2H3
InChIKeyRAWDZXYFYOXCDG-UHFFFAOYSA-N
XLogP2.79
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethanol
CID 11640220
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
methyl 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-phenylmethoxybenzoate
CID 21440616
1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510
1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 157085885
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
(1R)-2-amino-1-[3,5-bis(phenylmethoxy)phenyl]ethanol;(1R)-2-amino-1-[3-(hydroxymethyl)-4-phenylmethoxyphenyl]ethanol
CID 158431070
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol (CID 86734673) is 1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1cc(CO)cc(OCc2ccccc2)c1.
What is the InChIKey of 1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol?
The InChIKey is RAWDZXYFYOXCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-14(2)20-11-19(22)17-8-16(12-21)9-18(10-17)23-13-15-6-4-3-5-7-15/h3-10,14,19-22H,11-13H2,1-2H3.
What are the key properties of 1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol?
1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol has a molecular weight of 315.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-5-phenylmethoxyphenyl]-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 86734673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).