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

C18H31NO2 — CID 64805149

IUPAC2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-14(2)16-7-9-17(10-8-16)21-12-6-11-18(5,13-20)19-15(3)4/h7-10,14-15,19-20H,6,11-13H2,1-5H3
InChIKeyZIVHJTXDENIXKL-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.72
Rot. Bonds9

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

2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol (PubChem CID 64805149) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
PubChem CID64805149
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-14(2)16-7-9-17(10-8-16)21-12-6-11-18(5,13-20)19-15(3)4/h7-10,14-15,19-20H,6,11-13H2,1-5H3
InChIKeyZIVHJTXDENIXKL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol
CID 64803067
2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol
CID 64804329
2-amino-2-methyl-6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 64804948
2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
CID 64805620
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64802154
1-(4,4,5,5,5-pentafluoropentoxy)-4-propan-2-ylbenzene
CID 129166789
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804186
4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64802248
2-methyl-3-(4-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805055
5-(4-tert-butylphenoxy)-2-methyl-2-(methylamino)pentan-1-ol
CID 64802679
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
5-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804527

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol (CID 64805149) is 2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol is CC(C)NC(C)(CO)CCCOc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol?
The InChIKey is ZIVHJTXDENIXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(2)16-7-9-17(10-8-16)21-12-6-11-18(5,13-20)19-15(3)4/h7-10,14-15,19-20H,6,11-13H2,1-5H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol?
2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-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 2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol is sourced from PubChem (CID 64805149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).