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

C17H21NO3 — CID 116695402

IUPAC2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol
SMILESNC(CO)(CCOc1ccccc1CO)c1ccccc1
InChIInChI=1S/C17H21NO3/c18-17(13-20,15-7-2-1-3-8-15)10-11-21-16-9-5-4-6-14(16)12-19/h1-9,19-20H,10-13,18H2
InChIKeyDZYFWONIJCWBPR-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.79
Rot. Bonds7

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

2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol (PubChem CID 116695402) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol
PubChem CID116695402
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol
SMILESNC(CO)(CCOc1ccccc1CO)c1ccccc1
InChIInChI=1S/C17H21NO3/c18-17(13-20,15-7-2-1-3-8-15)10-11-21-16-9-5-4-6-14(16)12-19/h1-9,19-20H,10-13,18H2
InChIKeyDZYFWONIJCWBPR-UHFFFAOYSA-N
XLogP1.79
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-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-(3-methoxy-3-methylbutoxy)phenyl]methanol
CID 102975241
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64809091
4-[2-(hydroxymethyl)phenoxy]-2,2-dimethylbutanethioamide
CID 65248067
2-amino-3-[2-(hydroxymethyl)phenoxy]-2-phenylpropanamide
CID 63654675
2-amino-2-phenylpentan-1-ol
CID 61056433
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907
(2-octoxyphenyl)methanol
CID 43128604
2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
2-amino-4-[bis(2-methoxyethyl)amino]-2-phenylbutan-1-ol
CID 116695232
2-amino-4-(2-methoxyethylsulfanyl)-2-phenylbutan-1-ol
CID 116695696
2-amino-5-(2-ethylphenoxy)-2-methylpentan-1-ol
CID 64808331
(2-hept-6-enoxyphenyl)methanol
CID 107007457

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol (CID 116695402) is 2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol is NC(CO)(CCOc1ccccc1CO)c1ccccc1.
What is the InChIKey of 2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol?
The InChIKey is DZYFWONIJCWBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c18-17(13-20,15-7-2-1-3-8-15)10-11-21-16-9-5-4-6-14(16)12-19/h1-9,19-20H,10-13,18H2.
What are the key properties of 2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol?
2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(hydroxymethyl)phenoxy]-2-phenylbutan-1-ol is sourced from PubChem (CID 116695402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).