2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol

C15H25NO2 — CID 115133454

IUPAC2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol
SMILESCC(C)Oc1ccc(CN(C)C(C)(C)CO)cc1
InChIInChI=1S/C15H25NO2/c1-12(2)18-14-8-6-13(7-9-14)10-16(5)15(3,4)11-17/h6-9,12,17H,10-11H2,1-5H3
InChIKeyQTPMQDKHYOSMFQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.68
Rot. Bonds6

About 2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol

2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol (PubChem CID 115133454) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol
PubChem CID115133454
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol
SMILESCC(C)Oc1ccc(CN(C)C(C)(C)CO)cc1
InChIInChI=1S/C15H25NO2/c1-12(2)18-14-8-6-13(7-9-14)10-16(5)15(3,4)11-17/h6-9,12,17H,10-11H2,1-5H3
InChIKeyQTPMQDKHYOSMFQ-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-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-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

3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine
CID 115134836
N-(chloromethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115263189
N-(bromomethyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 115262054
4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one
CID 115235805
3-N-methyl-3-N-[(4-propan-2-yloxyphenyl)methyl]propane-1,2,3-triamine
CID 115119849
2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol
CID 116852304
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990
N-ethyl-N-methyl-2-(4-propan-2-yloxyphenyl)ethanamine
CID 115259585
2-[(2-chloro-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133466
2-amino-N-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 115152562
2-methyl-2-[methyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]propan-1-ol
CID 115637938
1-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 111916427

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol (CID 115133454) is 2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol is CC(C)Oc1ccc(CN(C)C(C)(C)CO)cc1.
What is the InChIKey of 2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol?
The InChIKey is QTPMQDKHYOSMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)18-14-8-6-13(7-9-14)10-16(5)15(3,4)11-17/h6-9,12,17H,10-11H2,1-5H3.
What are the key properties of 2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol?
2-methyl-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-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-2-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115133454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).