1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol

C19H26N2O2 — CID 12855748

IUPAC1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol
SMILESCC(C)(CCc1ccccc1)NCC(O)COc1ccncc1
InChIInChI=1S/C19H26N2O2/c1-19(2,11-8-16-6-4-3-5-7-16)21-14-17(22)15-23-18-9-12-20-13-10-18/h3-7,9-10,12-13,17,21-22H,8,11,14-15H2,1-2H3
InChIKeyNBHITJIQHKKAHN-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.82
Rot. Bonds9

About 1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol

1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol (PubChem CID 12855748) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol
PubChem CID12855748
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol
SMILESCC(C)(CCc1ccccc1)NCC(O)COc1ccncc1
InChIInChI=1S/C19H26N2O2/c1-19(2,11-8-16-6-4-3-5-7-16)21-14-17(22)15-23-18-9-12-20-13-10-18/h3-7,9-10,12-13,17,21-22H,8,11,14-15H2,1-2H3
InChIKeyNBHITJIQHKKAHN-UHFFFAOYSA-N
XLogP2.82
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol 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

2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile
CID 13030669
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol
CID 113253719
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
4-[3-[[(2S)-2-hydroxy-3-(1H-pyrazol-4-yloxy)propyl]amino]-3-methylbutyl]benzamide
CID 54384351
1-(4-fluorophenoxy)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 115609743
2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol
CID 13079634
(2S)-1-(methylamino)-3-[(2-methyl-5-phenylpentan-2-yl)amino]propan-2-ol
CID 70658760
1-[[1-[benzhydryl(methyl)amino]-2-methylpropan-2-yl]amino]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 19823513
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-(4-propylphenoxy)propan-2-ol;hydrochloride
CID 22640809
1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 115609672

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol?
The IUPAC name of 1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol (CID 12855748) is 1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol.
What is the SMILES notation for 1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol?
The canonical SMILES for 1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol is CC(C)(CCc1ccccc1)NCC(O)COc1ccncc1.
What is the InChIKey of 1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol?
The InChIKey is NBHITJIQHKKAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(2,11-8-16-6-4-3-5-7-16)21-14-17(22)15-23-18-9-12-20-13-10-18/h3-7,9-10,12-13,17,21-22H,8,11,14-15H2,1-2H3.
What are the key properties of 1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol?
1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol has a molecular weight of 314.43 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol is sourced from PubChem (CID 12855748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).