2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol

C15H25NO2 — CID 82985643

IUPAC2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
SMILESCOc1ccc(CN(C)C(C)CC(C)C)cc1O
InChIInChI=1S/C15H25NO2/c1-11(2)8-12(3)16(4)10-13-6-7-15(18-5)14(17)9-13/h6-7,9,11-12,17H,8,10H2,1-5H3
InChIKeyMYXFEKZJZCLJKI-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.27
Rot. Bonds6

About 2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol

2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol (PubChem CID 82985643) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
PubChem CID82985643
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
SMILESCOc1ccc(CN(C)C(C)CC(C)C)cc1O
InChIInChI=1S/C15H25NO2/c1-11(2)8-12(3)16(4)10-13-6-7-15(18-5)14(17)9-13/h6-7,9,11-12,17H,8,10H2,1-5H3
InChIKeyMYXFEKZJZCLJKI-UHFFFAOYSA-N
XLogP3.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 79310118
[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol
CID 112631174
2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978512
5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol
CID 139528672
2-methoxy-5-(2-methylpentyl)phenol
CID 154974152
2-[(3-hydroxy-4-methoxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79833184
N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine
CID 60964408
2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide
CID 82978813
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 76987745
(3-hydroxy-4-methoxyphenyl)methyl-methylazanide
CID 59297645
1-[(3-hydroxy-4-methoxyphenyl)methyl]-1-methyl-3-(3-methyl-1-pyridin-3-ylbutyl)urea
CID 122566896
5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-methoxyphenol
CID 13248722

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol (CID 82985643) is 2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol is COc1ccc(CN(C)C(C)CC(C)C)cc1O.
What is the InChIKey of 2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol?
The InChIKey is MYXFEKZJZCLJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)8-12(3)16(4)10-13-6-7-15(18-5)14(17)9-13/h6-7,9,11-12,17H,8,10H2,1-5H3.
What are the key properties of 2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol?
2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol has a molecular weight of 251.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 82985643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).