1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol

C12H19NO3 — CID 64819436

IUPAC1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
SMILESCC(O)(CN)CCOc1ccc(CO)cc1
InChIInChI=1S/C12H19NO3/c1-12(15,9-13)6-7-16-11-4-2-10(8-14)3-5-11/h2-5,14-15H,6-9,13H2,1H3
InChIKeyVSSHMRHBJXADOE-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.66
Rot. Bonds6

About 1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol

1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol (PubChem CID 64819436) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
PubChem CID64819436
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
SMILESCC(O)(CN)CCOc1ccc(CO)cc1
InChIInChI=1S/C12H19NO3/c1-12(15,9-13)6-7-16-11-4-2-10(8-14)3-5-11/h2-5,14-15H,6-9,13H2,1H3
InChIKeyVSSHMRHBJXADOE-UHFFFAOYSA-N
XLogP0.66
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide
CID 77062709
1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632
1-amino-4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 64815058
1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol
CID 60884005
[4-(3-aminopropoxy)phenyl]methanol;hydrochloride
CID 118916202
1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol
CID 64814616
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide
CID 106712416
1-amino-6-(3,4-difluorophenoxy)-2-methylhexan-2-ol
CID 64814224
3-methyl-1-phenoxypentan-3-ol
CID 139819683

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol (CID 64819436) is 1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol is CC(O)(CN)CCOc1ccc(CO)cc1.
What is the InChIKey of 1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
The InChIKey is VSSHMRHBJXADOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(15,9-13)6-7-16-11-4-2-10(8-14)3-5-11/h2-5,14-15H,6-9,13H2,1H3.
What are the key properties of 1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol?
1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 64819436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).