3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol

C12H19NO2 — CID 95366317

IUPAC3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol
SMILESCC[C@H](COC)NCc1cccc(O)c1
InChIInChI=1S/C12H19NO2/c1-3-11(9-15-2)13-8-10-5-4-6-12(14)7-10/h4-7,11,13-14H,3,8-9H2,1-2H3/t11-/m1/s1
InChIKeyFXVKRKFYCVWOCZ-LLVKDONJSA-N
MW209.29 g/mol
LogP1.91
Rot. Bonds6

About 3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol

3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol (PubChem CID 95366317) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol
PubChem CID95366317
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol
SMILESCC[C@H](COC)NCc1cccc(O)c1
InChIInChI=1S/C12H19NO2/c1-3-11(9-15-2)13-8-10-5-4-6-12(14)7-10/h4-7,11,13-14H,3,8-9H2,1-2H3/t11-/m1/s1
InChIKeyFXVKRKFYCVWOCZ-LLVKDONJSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol
CID 115717750
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
3-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449151
3-[(heptan-4-ylamino)methyl]phenol
CID 115676717
3-[(octan-3-ylamino)methyl]phenol
CID 82364591
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol
CID 113243238
2-[(3-methylphenyl)methylamino]butyl 2-methoxyacetate
CID 82533304
N-[(3-chloro-4-methylphenyl)methyl]-1-methoxybutan-2-amine
CID 106816854
3-[(2,2-dimethylpentan-3-ylamino)methyl]phenol;hydrochloride
CID 115616088

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol?
The IUPAC name of 3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol (CID 95366317) is 3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol?
The canonical SMILES for 3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol is CC[C@H](COC)NCc1cccc(O)c1.
What is the InChIKey of 3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol?
The InChIKey is FXVKRKFYCVWOCZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-11(9-15-2)13-8-10-5-4-6-12(14)7-10/h4-7,11,13-14H,3,8-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol?
3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol has a molecular weight of 209.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol is sourced from PubChem (CID 95366317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).