4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol

C18H31NO2 — CID 64804980

IUPAC4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)Oc1ccccc1C(C)CC
InChIInChI=1S/C18H31NO2/c1-6-14(3)16-10-8-9-11-17(16)21-15(4)12-18(5,13-20)19-7-2/h8-11,14-15,19-20H,6-7,12-13H2,1-5H3
InChIKeyIRJWXOJCPVPNEU-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.72
Rot. Bonds9

About 4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol

4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 64804980) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID64804980
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)Oc1ccccc1C(C)CC
InChIInChI=1S/C18H31NO2/c1-6-14(3)16-10-8-9-11-17(16)21-15(4)12-18(5,13-20)19-7-2/h8-11,14-15,19-20H,6-7,12-13H2,1-5H3
InChIKeyIRJWXOJCPVPNEU-UHFFFAOYSA-N
XLogP3.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol
CID 64814849
2-(ethylamino)-4-(4-fluorophenoxy)-2-methylpentan-1-ol
CID 64803932
4-(2-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64707886
2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
CID 54798619
2-(ethylamino)-4-(4-ethyl-2-methoxyphenoxy)-2-methylpentan-1-ol
CID 107669196
4-(4-butan-2-ylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 107669189
2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentan-1-ol
CID 64804774
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64809090
2-(ethylamino)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61056299
2-(ethylamino)-4-[2-(2-hydroxyethyl)phenoxy]-2-methylpentanenitrile
CID 107713907
2-(ethylamino)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106450767
4-(2-butan-2-ylphenoxy)-5,5-dimethylhexan-3-amine
CID 63456805

Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol (CID 64804980) is 4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol is CCNC(C)(CO)CC(C)Oc1ccccc1C(C)CC.
What is the InChIKey of 4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is IRJWXOJCPVPNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-14(3)16-10-8-9-11-17(16)21-15(4)12-18(5,13-20)19-7-2/h8-11,14-15,19-20H,6-7,12-13H2,1-5H3.
What are the key properties of 4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol?
4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64804980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).