6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C16H26FNO2 — CID 64804186

IUPAC6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOc1cccc(F)c1
InChIInChI=1S/C16H26FNO2/c1-13(2)18-16(3,12-19)9-4-5-10-20-15-8-6-7-14(17)11-15/h6-8,11,13,18-19H,4-5,9-10,12H2,1-3H3
InChIKeyPLGRWROANWFANP-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.12
Rot. Bonds9

About 6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64804186) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64804186
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCOc1cccc(F)c1
InChIInChI=1S/C16H26FNO2/c1-13(2)18-16(3,12-19)9-4-5-10-20-15-8-6-7-14(17)11-15/h6-8,11,13,18-19H,4-5,9-10,12H2,1-3H3
InChIKeyPLGRWROANWFANP-UHFFFAOYSA-N
XLogP3.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methoxyphenoxy)-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64802248
6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64809744
2-methyl-2-(propan-2-ylamino)-4-(3-propan-2-ylphenoxy)butan-1-ol
CID 64804329
2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
CID 64805149
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
2-methyl-4-(2-phenoxyethoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64802154
6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804740
6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807219
1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 64804368
2-ethyl-5-(3-fluorophenoxy)-2-(propylamino)pentan-1-ol
CID 106810534
3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827300

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64804186) is 6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCOc1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is PLGRWROANWFANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-13(2)18-16(3,12-19)9-4-5-10-20-15-8-6-7-14(17)11-15/h6-8,11,13,18-19H,4-5,9-10,12H2,1-3H3.
What are the key properties of 6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 283.39 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64804186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).