2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol

C18H31NO2 — CID 64811206

IUPAC2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
SMILESCCNC(C)(CO)CC(C)Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H31NO2/c1-7-19-18(6,12-20)11-15(5)21-17-10-16(13(2)3)9-8-14(17)4/h8-10,13,15,19-20H,7,11-12H2,1-6H3
InChIKeyVYQQGFKAJNCGGJ-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.64
Rot. Bonds8

About 2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol

2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol (PubChem CID 64811206) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
PubChem CID64811206
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
SMILESCCNC(C)(CO)CC(C)Oc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H31NO2/c1-7-19-18(6,12-20)11-15(5)21-17-10-16(13(2)3)9-8-14(17)4/h8-10,13,15,19-20H,7,11-12H2,1-6H3
InChIKeyVYQQGFKAJNCGGJ-UHFFFAOYSA-N
XLogP3.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 64810374
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711
2-methyl-N-[2-(2-methyl-5-propan-2-ylphenoxy)propyl]propan-2-amine
CID 63496668
4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804980
2-(ethylamino)-4-(4-ethyl-2-methoxyphenoxy)-2-methylpentan-1-ol
CID 107669196
2-(ethylamino)-4-(4-fluorophenoxy)-2-methylpentan-1-ol
CID 64803932
2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile
CID 64725441
2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine
CID 62484519
4-(3,5-dimethylphenoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64804347
2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine
CID 63500724
2-methyl-4-(3-methylphenoxy)-2-(propylamino)pentan-1-ol
CID 64802099
methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706636

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol (CID 64811206) is 2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol is CCNC(C)(CO)CC(C)Oc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol?
The InChIKey is VYQQGFKAJNCGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-7-19-18(6,12-20)11-15(5)21-17-10-16(13(2)3)9-8-14(17)4/h8-10,13,15,19-20H,7,11-12H2,1-6H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol?
2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol is sourced from PubChem (CID 64811206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).