2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol

C17H29NO2 — CID 64804329

IUPAC2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol
SMILESCC(C)NC(C)(CO)CCOc1cccc(C(C)C)c1
InChIInChI=1S/C17H29NO2/c1-13(2)15-7-6-8-16(11-15)20-10-9-17(5,12-19)18-14(3)4/h6-8,11,13-14,18-19H,9-10,12H2,1-5H3
InChIKeyLRLOBFKXENJJAN-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.33
Rot. Bonds8

About 2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol

2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol (PubChem CID 64804329) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol
PubChem CID64804329
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol
SMILESCC(C)NC(C)(CO)CCOc1cccc(C(C)C)c1
InChIInChI=1S/C17H29NO2/c1-13(2)15-7-6-8-16(11-15)20-10-9-17(5,12-19)18-14(3)4/h6-8,11,13-14,18-19H,9-10,12H2,1-5H3
InChIKeyLRLOBFKXENJJAN-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-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64802248
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804186
2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
CID 64805149
2-amino-2-methyl-5-(3-propan-2-ylphenoxy)pentan-1-ol
CID 64802030
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64802154
2-(ethylamino)-2-methyl-3-(3-propan-2-ylphenoxy)propan-1-ol
CID 64802859
N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide
CID 10682991
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
2-methyl-2-(methylamino)-4-(4-propan-2-ylphenoxy)butan-1-ol
CID 64803067
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
2-methyl-2-(propan-2-ylamino)-4-(2,4,6-trimethylphenoxy)butan-1-ol
CID 64809345

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol (CID 64804329) is 2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol is CC(C)NC(C)(CO)CCOc1cccc(C(C)C)c1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol?
The InChIKey is LRLOBFKXENJJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)15-7-6-8-16(11-15)20-10-9-17(5,12-19)18-14(3)4/h6-8,11,13-14,18-19H,9-10,12H2,1-5H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol?
2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-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 2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol is sourced from PubChem (CID 64804329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).