3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol

C12H20N2O2 — CID 83930273

IUPAC3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol
SMILESCN(C)CCC(N)C(O)c1cccc(O)c1
InChIInChI=1S/C12H20N2O2/c1-14(2)7-6-11(13)12(16)9-4-3-5-10(15)8-9/h3-5,8,11-12,15-16H,6-7,13H2,1-2H3
InChIKeyMYBMXPBYNOSVGL-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.70
Rot. Bonds5

About 3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol

3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol (PubChem CID 83930273) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol.

Molecular Properties

Compound Name3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol
PubChem CID83930273
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol
SMILESCN(C)CCC(N)C(O)c1cccc(O)c1
InChIInChI=1S/C12H20N2O2/c1-14(2)7-6-11(13)12(16)9-4-3-5-10(15)8-9/h3-5,8,11-12,15-16H,6-7,13H2,1-2H3
InChIKeyMYBMXPBYNOSVGL-UHFFFAOYSA-N
XLogP0.70
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(dimethylamino)-1-(3-methylsulfonylphenyl)butan-1-ol
CID 83926432
2-amino-4-(dimethylamino)-1-pyridin-3-ylbutan-1-ol
CID 83929772
3-[(1S)-2-amino-1-hydroxypropyl]phenol
CID 70582339
3-[(2S)-2-amino-1-hydroxypropyl]phenol
CID 102328188
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene
CID 70466970
tert-butyl N-[3-amino-4-hydroxy-4-(3-hydroxyphenyl)butyl]carbamate
CID 83930271
2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol
CID 83935836
2-[2-amino-4-(dimethylamino)-1-hydroxybutyl]-4-methylphenol
CID 83922845
3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
CID 103734415
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
CID 171245723
3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride
CID 171162121

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol?
The IUPAC name of 3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol (CID 83930273) is 3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol.
What is the SMILES notation for 3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol?
The canonical SMILES for 3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol is CN(C)CCC(N)C(O)c1cccc(O)c1.
What is the InChIKey of 3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol?
The InChIKey is MYBMXPBYNOSVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14(2)7-6-11(13)12(16)9-4-3-5-10(15)8-9/h3-5,8,11-12,15-16H,6-7,13H2,1-2H3.
What are the key properties of 3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol?
3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol has a molecular weight of 224.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-4-(dimethylamino)-1-hydroxybutyl]phenol is sourced from PubChem (CID 83930273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).