2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol

C19H26N2O3 — CID 21428403

IUPAC2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol
SMILESCC(C)(C)NCC(O)c1ccc(OCc2ccccc2)c(CO)n1
InChIInChI=1S/C19H26N2O3/c1-19(2,3)20-11-17(23)15-9-10-18(16(12-22)21-15)24-13-14-7-5-4-6-8-14/h4-10,17,20,22-23H,11-13H2,1-3H3
InChIKeyMABOPFJWULMOCB-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.57
Rot. Bonds7

About 2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol

2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol (PubChem CID 21428403) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol
PubChem CID21428403
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol
SMILESCC(C)(C)NCC(O)c1ccc(OCc2ccccc2)c(CO)n1
InChIInChI=1S/C19H26N2O3/c1-19(2,3)20-11-17(23)15-9-10-18(16(12-22)21-15)24-13-14-7-5-4-6-8-14/h4-10,17,20,22-23H,11-13H2,1-3H3
InChIKeyMABOPFJWULMOCB-UHFFFAOYSA-N
XLogP2.57
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pirbuterol
CID 4845
Pirbuterol monohydrochloride
CID 3061720
Pirbuterol, (R)-
CID 3246659
3-Benzyloxy-2-ethyl-6-methyl-pyridin-4-ylamine
CID 6603362
(2S)-N-methyl-1-phenyl-3-pyridin-3-yloxypropan-2-amine
CID 44340795
(2R)-2-[[3-fluoro-6-(2-fluoro-5-propan-2-yloxyphenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312406
(2R)-2-[[3-fluoro-6-(3-fluoro-4-propan-2-yloxyphenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312408
(2R)-3-methyl-2-[(6-phenylmethoxy-2-pyridinyl)methylamino]butan-1-ol
CID 68312434
(2R)-2-[[3-fluoro-6-(3-propan-2-yloxyphenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312515
2-{[[2-(2-Allylphenoxy)ethyl](methyl)amino]methyl}-6-methylpyridin-3-ol
CID 46999688
(S)-Pirbuterol
CID 45356253
(R)-pyridin-4-yl-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methanol
CID 72199880

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol?
The IUPAC name of 2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol (CID 21428403) is 2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol is CC(C)(C)NCC(O)c1ccc(OCc2ccccc2)c(CO)n1.
What is the InChIKey of 2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol?
The InChIKey is MABOPFJWULMOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(2,3)20-11-17(23)15-9-10-18(16(12-22)21-15)24-13-14-7-5-4-6-8-14/h4-10,17,20,22-23H,11-13H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol?
2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol has a molecular weight of 330.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-[6-(hydroxymethyl)-5-phenylmethoxy-2-pyridinyl]ethanol is sourced from PubChem (CID 21428403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).