1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol

C17H29NO2 — CID 82315196

IUPAC1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
SMILESCCOc1ccc(C)cc1C(O)C(C)NCCC(C)C
InChIInChI=1S/C17H29NO2/c1-6-20-16-8-7-13(4)11-15(16)17(19)14(5)18-10-9-12(2)3/h7-8,11-12,14,17-19H,6,9-10H2,1-5H3
InChIKeyANAPBIBDOUIGRQ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.45
Rot. Bonds8

About 1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol

1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol (PubChem CID 82315196) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
PubChem CID82315196
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
SMILESCCOc1ccc(C)cc1C(O)C(C)NCCC(C)C
InChIInChI=1S/C17H29NO2/c1-6-20-16-8-7-13(4)11-15(16)17(19)14(5)18-10-9-12(2)3/h7-8,11-12,14,17-19H,6,9-10H2,1-5H3
InChIKeyANAPBIBDOUIGRQ-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-(2-ethoxy-5-methylphenyl)-2-(propylamino)butan-1-ol
CID 82315202
1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol
CID 82315218
2-[3-(dimethylamino)propylamino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313691
1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82313799
2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol
CID 82315219
1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol
CID 82315715
4-(2-ethoxy-5-methylphenyl)-4-hydroxy-3-(propan-2-ylamino)butanoic acid
CID 82349047
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 62301989
2-(4-chlorobutan-2-yl)-1-ethoxy-4-methylbenzene
CID 83933609
1-(2-ethoxy-5-methylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518845

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol (CID 82315196) is 1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol is CCOc1ccc(C)cc1C(O)C(C)NCCC(C)C.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol?
The InChIKey is ANAPBIBDOUIGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-20-16-8-7-13(4)11-15(16)17(19)14(5)18-10-9-12(2)3/h7-8,11-12,14,17-19H,6,9-10H2,1-5H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol?
1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol is sourced from PubChem (CID 82315196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).