(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol

C12H19NO2 — CID 103884134

IUPAC(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
SMILESCOCc1ccc(CNC[C@H](C)O)cc1
InChIInChI=1S/C12H19NO2/c1-10(14)7-13-8-11-3-5-12(6-4-11)9-15-2/h3-6,10,13-14H,7-9H2,1-2H3/t10-/m0/s1
InChIKeyIADSWYVOTFEQMB-JTQLQIEISA-N
MW209.29 g/mol
LogP1.30
Rot. Bonds6

About (2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol

(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol (PubChem CID 103884134) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
PubChem CID103884134
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
SMILESCOCc1ccc(CNC[C@H](C)O)cc1
InChIInChI=1S/C12H19NO2/c1-10(14)7-13-8-11-3-5-12(6-4-11)9-15-2/h3-6,10,13-14H,7-9H2,1-2H3/t10-/m0/s1
InChIKeyIADSWYVOTFEQMB-JTQLQIEISA-N
XLogP1.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-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

N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide
CID 106170747
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
(2S)-1-(benzylamino)propan-2-ol
CID 964914
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115764049
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol
CID 39244971
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17290395
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol (CID 103884134) is (2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol is COCc1ccc(CNC[C@H](C)O)cc1.
What is the InChIKey of (2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol?
The InChIKey is IADSWYVOTFEQMB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(14)7-13-8-11-3-5-12(6-4-11)9-15-2/h3-6,10,13-14H,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol?
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 103884134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).