2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol

C15H25NO2 — CID 111336303

IUPAC2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
SMILESCC(C)Oc1cccc(CN(C)CC(C)(C)O)c1
InChIInChI=1S/C15H25NO2/c1-12(2)18-14-8-6-7-13(9-14)10-16(5)11-15(3,4)17/h6-9,12,17H,10-11H2,1-5H3
InChIKeyRHOUCQIRBRWGKI-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.68
Rot. Bonds6

About 2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol

2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol (PubChem CID 111336303) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
PubChem CID111336303
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
SMILESCC(C)Oc1cccc(CN(C)CC(C)(C)O)c1
InChIInChI=1S/C15H25NO2/c1-12(2)18-14-8-6-7-13(9-14)10-16(5)11-15(3,4)17/h6-9,12,17H,10-11H2,1-5H3
InChIKeyRHOUCQIRBRWGKI-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
CID 111107920
N-methyl-1-(3-nitrophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 112841430
2-methyl-3-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]-3-oxopropanoic acid
CID 122066518
3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 120873575
methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620273
2-[(3-propan-2-yloxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264180
2,2-dimethyl-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 117345113
2,4-dimethyl-1-[(3-propan-2-yloxyphenyl)methylamino]pentan-2-ol
CID 66179115
(3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate
CID 12963459
1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115136999
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 55055189
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol (CID 111336303) is 2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol is CC(C)Oc1cccc(CN(C)CC(C)(C)O)c1.
What is the InChIKey of 2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol?
The InChIKey is RHOUCQIRBRWGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)18-14-8-6-7-13(9-14)10-16(5)11-15(3,4)17/h6-9,12,17H,10-11H2,1-5H3.
What are the key properties of 2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol?
2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 111336303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).