1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol

C16H27NO2 — CID 78782909

IUPAC1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
SMILESCCCCN(C)CC(O)COc1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO2/c1-5-6-7-17(4)11-15(18)12-19-16-9-13(2)8-14(3)10-16/h8-10,15,18H,5-7,11-12H2,1-4H3
InChIKeyASUNDLCERYYOND-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.78
Rot. Bonds8

About 1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol

1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol (PubChem CID 78782909) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
PubChem CID78782909
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
SMILESCCCCN(C)CC(O)COc1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO2/c1-5-6-7-17(4)11-15(18)12-19-16-9-13(2)8-14(3)10-16/h8-10,15,18H,5-7,11-12H2,1-4H3
InChIKeyASUNDLCERYYOND-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,2-difluoroethyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 110936185
1-(3,5-dimethylphenoxy)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
CID 110905337
1-[2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]ethyl]pyrrolidin-2-one
CID 111122276
1-(3,5-dimethylphenoxy)-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol
CID 111613532
1-[4-(aminomethyl)phenoxy]-3-[methyl(pentyl)amino]propan-2-ol
CID 43294523
1-(3,5-dimethylphenoxy)-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]propan-2-ol
CID 110936161
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 78831974
1-(3,5-dimethylphenoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199289
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
(2R)-1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 94391448
1-(3-methylphenoxy)-3-[methyl(2-phenylethyl)amino]propan-2-ol
CID 117068437
3-[3-(2,3-dihydroxypropoxy)-5-methylphenoxy]propane-1,2-diol
CID 18362183

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol (CID 78782909) is 1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol is CCCCN(C)CC(O)COc1cc(C)cc(C)c1.
What is the InChIKey of 1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol?
The InChIKey is ASUNDLCERYYOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-6-7-17(4)11-15(18)12-19-16-9-13(2)8-14(3)10-16/h8-10,15,18H,5-7,11-12H2,1-4H3.
What are the key properties of 1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol?
1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(methyl)amino]-3-(3,5-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 78782909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).