3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol

C15H25NO2 — CID 62622938

IUPAC3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCOCC(C)N(C)CCC(O)c1ccccc1C
InChIInChI=1S/C15H25NO2/c1-12-7-5-6-8-14(12)15(17)9-10-16(3)13(2)11-18-4/h5-8,13,15,17H,9-11H2,1-4H3
InChIKeyDEEVMNBPFVUALV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.39
Rot. Bonds7

About 3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol

3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol (PubChem CID 62622938) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
PubChem CID62622938
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCOCC(C)N(C)CCC(O)c1ccccc1C
InChIInChI=1S/C15H25NO2/c1-12-7-5-6-8-14(12)15(17)9-10-16(3)13(2)11-18-4/h5-8,13,15,17H,9-11H2,1-4H3
InChIKeyDEEVMNBPFVUALV-UHFFFAOYSA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-methoxypropyl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63010100
3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624194
3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63692501
3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62625075
(1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol
CID 78940310
1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 113426386
1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630308
3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol
CID 62624022
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol
CID 103959999
1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol
CID 55233858
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374

Frequently Asked Questions

What is the IUPAC name of 3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol (CID 62622938) is 3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol is COCC(C)N(C)CCC(O)c1ccccc1C.
What is the InChIKey of 3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol?
The InChIKey is DEEVMNBPFVUALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-7-5-6-8-14(12)15(17)9-10-16(3)13(2)11-18-4/h5-8,13,15,17H,9-11H2,1-4H3.
What are the key properties of 3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol?
3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 62622938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).