1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol

C14H23NO2 — CID 78927372

IUPAC1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(C)cc1CN(C)CC(C)(C)O
InChIInChI=1S/C14H23NO2/c1-11-6-7-13(17-5)12(8-11)9-15(4)10-14(2,3)16/h6-8,16H,9-10H2,1-5H3
InChIKeyCDKIFCFUXWDZMM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.21
Rot. Bonds5

About 1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol

1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol (PubChem CID 78927372) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
PubChem CID78927372
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(C)cc1CN(C)CC(C)(C)O
InChIInChI=1S/C14H23NO2/c1-11-6-7-13(17-5)12(8-11)9-15(4)10-14(2,3)16/h6-8,16H,9-10H2,1-5H3
InChIKeyCDKIFCFUXWDZMM-UHFFFAOYSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79384257
1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 115200689
1-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115137018
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115134117
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042414
2-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N,3,3-trimethylbutanamide
CID 76896843
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-methoxybenzoic acid
CID 62019167
1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115136999
4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol
CID 117039190

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol (CID 78927372) is 1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol is COc1ccc(C)cc1CN(C)CC(C)(C)O.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is CDKIFCFUXWDZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-6-7-13(17-5)12(8-11)9-15(4)10-14(2,3)16/h6-8,16H,9-10H2,1-5H3.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol?
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 78927372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).