2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol

C11H17NO2 — CID 95379080

IUPAC2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CN[C@@H](C)CO)c1
InChIInChI=1S/C11H17NO2/c1-8-3-4-11(14)10(5-8)6-12-9(2)7-13/h3-5,9,12-14H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyFJFMPXVTHQJHFR-VIFPVBQESA-N
MW195.26 g/mol
LogP1.17
Rot. Bonds4

About 2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol

2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol (PubChem CID 95379080) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
PubChem CID95379080
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CN[C@@H](C)CO)c1
InChIInChI=1S/C11H17NO2/c1-8-3-4-11(14)10(5-8)6-12-9(2)7-13/h3-5,9,12-14H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyFJFMPXVTHQJHFR-VIFPVBQESA-N
XLogP1.17
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol 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

3-[(2-hydroxy-5-methylphenyl)methylamino]butanenitrile
CID 104586902
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 63327011
2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-4,5-dimethylphenol
CID 103698714
4-methyl-2-[[1-(2-methylphenyl)propan-2-ylamino]methyl]phenol
CID 63324431
2-[(2-hydroxy-5-methylphenyl)methylamino]-N-methylpropanamide
CID 63324695
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]-4-methylphenol
CID 55205892
methyl 2-[(2-hydroxy-5-methylphenyl)methylamino]-3-methylbutanoate
CID 63327146
2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324815
2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol
CID 63327164
(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
CID 103854725

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol?
The IUPAC name of 2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol (CID 95379080) is 2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol is Cc1ccc(O)c(CN[C@@H](C)CO)c1.
What is the InChIKey of 2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol?
The InChIKey is FJFMPXVTHQJHFR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-3-4-11(14)10(5-8)6-12-9(2)7-13/h3-5,9,12-14H,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol?
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol has a molecular weight of 195.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol is sourced from PubChem (CID 95379080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).