3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol

C15H23NO2 — CID 82754768

IUPAC3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(O)CCN(C)C2CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-12-4-3-5-13(10-12)15(17)6-8-16(2)14-7-9-18-11-14/h3-5,10,14-15,17H,6-9,11H2,1-2H3
InChIKeyNNNQMICBLRMEKW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.14
Rot. Bonds5

About 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol

3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol (PubChem CID 82754768) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol
PubChem CID82754768
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(O)CCN(C)C2CCOC2)c1
InChIInChI=1S/C15H23NO2/c1-12-4-3-5-13(10-12)15(17)6-8-16(2)14-7-9-18-11-14/h3-5,10,14-15,17H,6-9,11H2,1-2H3
InChIKeyNNNQMICBLRMEKW-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743687
1-(3-fluorophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62630319
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
N'-methyl-1-(3-methylphenyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735457
3-[methyl(oxolan-3-yl)amino]-1-(2-methylphenyl)propan-1-ol
CID 82754684
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one
CID 82744004
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744103
1-(3-bromophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82743614
1-(3-methylphenyl)-3-(oxiran-2-yl)propan-1-ol
CID 165440568
1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62618821
3-[methyl(2-methylsulfanylethyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 112665072
2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol
CID 78976695

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol?
The IUPAC name of 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol (CID 82754768) is 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol is Cc1cccc(C(O)CCN(C)C2CCOC2)c1.
What is the InChIKey of 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol?
The InChIKey is NNNQMICBLRMEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-4-3-5-13(10-12)15(17)6-8-16(2)14-7-9-18-11-14/h3-5,10,14-15,17H,6-9,11H2,1-2H3.
What are the key properties of 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol?
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 82754768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).