1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol

C15H25NO2 — CID 103699421

IUPAC1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1cccc(COC)c1
InChIInChI=1S/C15H25NO2/c1-4-8-15(2,17)12-16-10-13-6-5-7-14(9-13)11-18-3/h5-7,9,16-17H,4,8,10-12H2,1-3H3
InChIKeyQWGZZVYSDWYITA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.47
Rot. Bonds8

About 1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol

1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol (PubChem CID 103699421) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol
PubChem CID103699421
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1cccc(COC)c1
InChIInChI=1S/C15H25NO2/c1-4-8-15(2,17)12-16-10-13-6-5-7-14(9-13)11-18-3/h5-7,9,16-17H,4,8,10-12H2,1-3H3
InChIKeyQWGZZVYSDWYITA-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid
CID 61342159
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
N-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 79032921
1-[(3-bromo-4-methylphenyl)methylamino]-2-methylpentan-2-ol
CID 113344535
1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol
CID 115623479
1-[(4-bromo-3-fluorophenyl)methylamino]-2-methylpentan-2-ol
CID 103773692
1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720712
2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 115623477
2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 113251429
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
N-[[3-(aminomethyl)phenyl]methyl]-2,2-dimethylpentan-1-amine
CID 115213095
N-[[3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]ethanamine
CID 106667655

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol (CID 103699421) is 1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNCc1cccc(COC)c1.
What is the InChIKey of 1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol?
The InChIKey is QWGZZVYSDWYITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-8-15(2,17)12-16-10-13-6-5-7-14(9-13)11-18-3/h5-7,9,16-17H,4,8,10-12H2,1-3H3.
What are the key properties of 1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol?
1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 103699421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).