2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol

C11H17NO2 — CID 15278079

IUPAC2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
SMILESCC[C@H](CO)NCc1ccccc1O
InChIInChI=1S/C11H17NO2/c1-2-10(8-13)12-7-9-5-3-4-6-11(9)14/h3-6,10,12-14H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyRDRXZFLGETYROV-SNVBAGLBSA-N
MW195.26 g/mol
LogP1.25
Rot. Bonds5

About 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol

2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol (PubChem CID 15278079) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
PubChem CID15278079
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
SMILESCC[C@H](CO)NCc1ccccc1O
InChIInChI=1S/C11H17NO2/c1-2-10(8-13)12-7-9-5-3-4-6-11(9)14/h3-6,10,12-14H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyRDRXZFLGETYROV-SNVBAGLBSA-N
XLogP1.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1-hydroxyhexan-2-ylamino)methyl]phenol
CID 91522535
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
2-[(2-ethylphenyl)methylamino]propane-1,3-diol
CID 65315433
(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol
CID 104980617
(2R)-2-[(2,3-difluorophenyl)methylamino]butan-1-ol
CID 93043909
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436
2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol chloride
CID 53351262
(2S)-2-[(3-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910008
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
(2S)-2-[(2-methoxy-3-methylphenyl)methylamino]butan-1-ol
CID 97179065
(2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727318
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol?
The IUPAC name of 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol (CID 15278079) is 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol?
The canonical SMILES for 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol is CC[C@H](CO)NCc1ccccc1O.
What is the InChIKey of 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol?
The InChIKey is RDRXZFLGETYROV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-10(8-13)12-7-9-5-3-4-6-11(9)14/h3-6,10,12-14H,2,7-8H2,1H3/t10-/m1/s1.
What are the key properties of 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol?
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol has a molecular weight of 195.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol is sourced from PubChem (CID 15278079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).