2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol

C13H21NO2 — CID 115882414

IUPAC2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCOc1ccccc1CN(C)C(C)(C)CO
InChIInChI=1S/C13H21NO2/c1-13(2,10-15)14(3)9-11-7-5-6-8-12(11)16-4/h5-8,15H,9-10H2,1-4H3
InChIKeyDQJDIKFAUQOOFT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.90
Rot. Bonds5

About 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol

2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115882414) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
PubChem CID115882414
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
SMILESCOc1ccccc1CN(C)C(C)(C)CO
InChIInChI=1S/C13H21NO2/c1-13(2,10-15)14(3)9-11-7-5-6-8-12(11)16-4/h5-8,15H,9-10H2,1-4H3
InChIKeyDQJDIKFAUQOOFT-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol
CID 115884791
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128504
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133450
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]benzamide
CID 113476297
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
2-[(2-bromo-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882380
(2-(111C)methoxyphenyl)methanol
CID 59897789
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
3,3-dimethoxy-2-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 66179840
2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133466
2-(ethylamino)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61056299
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 62735211

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol (CID 115882414) is 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol is COc1ccccc1CN(C)C(C)(C)CO.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is DQJDIKFAUQOOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,10-15)14(3)9-11-7-5-6-8-12(11)16-4/h5-8,15H,9-10H2,1-4H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol?
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115882414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).