4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C16H27NO3 — CID 64809090

IUPAC4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)Oc1ccccc1CO
InChIInChI=1S/C16H27NO3/c1-12(2)17-16(4,11-19)9-13(3)20-15-8-6-5-7-14(15)10-18/h5-8,12-13,17-19H,9-11H2,1-4H3
InChIKeyUEWXJHLRGVFOOZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.09
Rot. Bonds8

About 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol

4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64809090) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64809090
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CC(C)Oc1ccccc1CO
InChIInChI=1S/C16H27NO3/c1-12(2)17-16(4,11-19)9-13(3)20-15-8-6-5-7-14(15)10-18/h5-8,12-13,17-19H,9-11H2,1-4H3
InChIKeyUEWXJHLRGVFOOZ-UHFFFAOYSA-N
XLogP2.09
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64804081
4-[2-(hydroxymethyl)phenoxy]pentan-2-one
CID 64697349
2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64802104
4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804980
4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 107171567
4-ethoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64802828
2-methyl-4-phenylsulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64818850
2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
CID 107713907
methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate
CID 103338014
2-amino-2-methyl-4-naphthalen-1-yloxypentan-1-ol
CID 64804569
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64809091
[2-(3-amino-3-methyl-1-phenylbutoxy)phenyl]methanol
CID 70258164

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64809090) is 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(C)(CO)CC(C)Oc1ccccc1CO.
What is the InChIKey of 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is UEWXJHLRGVFOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12(2)17-16(4,11-19)9-13(3)20-15-8-6-5-7-14(15)10-18/h5-8,12-13,17-19H,9-11H2,1-4H3.
What are the key properties of 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64809090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).