2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol

C17H27NO2 — CID 82315219

IUPAC2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol
SMILESCCOc1ccc(C)cc1C(O)C(NC1CC1)C(C)C
InChIInChI=1S/C17H27NO2/c1-5-20-15-9-6-12(4)10-14(15)17(19)16(11(2)3)18-13-7-8-13/h6,9-11,13,16-19H,5,7-8H2,1-4H3
InChIKeyFCSVTIBVYODEMQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.20
Rot. Bonds7

About 2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol

2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol (PubChem CID 82315219) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol
PubChem CID82315219
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol
SMILESCCOc1ccc(C)cc1C(O)C(NC1CC1)C(C)C
InChIInChI=1S/C17H27NO2/c1-5-20-15-9-6-12(4)10-14(15)17(19)16(11(2)3)18-13-7-8-13/h6,9-11,13,16-19H,5,7-8H2,1-4H3
InChIKeyFCSVTIBVYODEMQ-UHFFFAOYSA-N
XLogP3.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol
CID 82315218
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 82313718
2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313684
2-cyclopropyl-1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 83154688
2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol
CID 82313727
1-(2-ethoxy-5-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82315196
2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene
CID 63447510
1-(2-ethoxy-5-methylphenyl)-2-(propylamino)butan-1-ol
CID 82315202
cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
CID 65018902
3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
4-(2-ethoxy-5-methylphenyl)-4-hydroxy-3-(propan-2-ylamino)butanoic acid
CID 82349047

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol (CID 82315219) is 2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol is CCOc1ccc(C)cc1C(O)C(NC1CC1)C(C)C.
What is the InChIKey of 2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol?
The InChIKey is FCSVTIBVYODEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-20-15-9-6-12(4)10-14(15)17(19)16(11(2)3)18-13-7-8-13/h6,9-11,13,16-19H,5,7-8H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol?
2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82315219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).