4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol

C17H29NO2 — CID 107669189

IUPAC4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCCC(C)c1ccc(OC(C)CC(C)(CO)NC)cc1
InChIInChI=1S/C17H29NO2/c1-6-13(2)15-7-9-16(10-8-15)20-14(3)11-17(4,12-19)18-5/h7-10,13-14,18-19H,6,11-12H2,1-5H3
InChIKeyRSXXDSKKRPOIKA-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.33
Rot. Bonds8

About 4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol

4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 107669189) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID107669189
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCCC(C)c1ccc(OC(C)CC(C)(CO)NC)cc1
InChIInChI=1S/C17H29NO2/c1-6-13(2)15-7-9-16(10-8-15)20-14(3)11-17(4,12-19)18-5/h7-10,13-14,18-19H,6,11-12H2,1-5H3
InChIKeyRSXXDSKKRPOIKA-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 107667823
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
2-(ethylamino)-4-(4-fluorophenoxy)-2-methylpentan-1-ol
CID 64803932
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
2-(cyclopropylamino)-4-(4-ethylphenoxy)-2-methylpentan-1-ol
CID 64802459
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
(3R)-3-(4-butan-2-ylphenoxy)butanoic acid
CID 107663488
4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804980
2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64811206
N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine
CID 107668612
ethyl 3-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)propanoate
CID 107667946
2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol
CID 64803067

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol (CID 107669189) is 4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol is CCC(C)c1ccc(OC(C)CC(C)(CO)NC)cc1.
What is the InChIKey of 4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is RSXXDSKKRPOIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-13(2)15-7-9-16(10-8-15)20-14(3)11-17(4,12-19)18-5/h7-10,13-14,18-19H,6,11-12H2,1-5H3.
What are the key properties of 4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol?
4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 107669189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).