3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol

C14H23NO2 — CID 104554768

IUPAC3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCN(C)C(C)CO)cc1
InChIInChI=1S/C14H23NO2/c1-11-4-6-13(7-5-11)14(17)8-9-15(3)12(2)10-16/h4-7,12,14,16-17H,8-10H2,1-3H3
InChIKeyMBTVUBFDBUDXMR-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.73
Rot. Bonds6

About 3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol

3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol (PubChem CID 104554768) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
PubChem CID104554768
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)CCN(C)C(C)CO)cc1
InChIInChI=1S/C14H23NO2/c1-11-4-6-13(7-5-11)14(17)8-9-15(3)12(2)10-16/h4-7,12,14,16-17H,8-10H2,1-3H3
InChIKeyMBTVUBFDBUDXMR-UHFFFAOYSA-N
XLogP1.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
1-(4-methylphenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63490120
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 113426386
1-(4-chlorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-ol
CID 112665146
2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-methylamino]propan-1-ol
CID 104554566
4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol
CID 62617440
1-(4-fluorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62645449
(1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 118026515
2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-methylamino]propan-1-ol
CID 113426383
4-(methylamino)-1-(4-methylphenyl)butan-1-ol
CID 23009156

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol (CID 104554768) is 3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)CCN(C)C(C)CO)cc1.
What is the InChIKey of 3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol?
The InChIKey is MBTVUBFDBUDXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-4-6-13(7-5-11)14(17)8-9-15(3)12(2)10-16/h4-7,12,14,16-17H,8-10H2,1-3H3.
What are the key properties of 3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol?
3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 104554768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).