1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol

C15H24FNO2 — CID 78963624

IUPAC1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCCOc1ccc(F)cc1)CC(C)(C)O
InChIInChI=1S/C15H24FNO2/c1-4-17(12-15(2,3)18)10-5-11-19-14-8-6-13(16)7-9-14/h6-9,18H,4-5,10-12H2,1-3H3
InChIKeyRQPZQXIKTVPHQA-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.69
Rot. Bonds8

About 1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol

1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol (PubChem CID 78963624) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol
PubChem CID78963624
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol
SMILESCCN(CCCOc1ccc(F)cc1)CC(C)(C)O
InChIInChI=1S/C15H24FNO2/c1-4-17(12-15(2,3)18)10-5-11-19-14-8-6-13(16)7-9-14/h6-9,18H,4-5,10-12H2,1-3H3
InChIKeyRQPZQXIKTVPHQA-UHFFFAOYSA-N
XLogP2.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
CID 171832104
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
1-[ethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]-2-methylpropan-2-ol
CID 78962368
N-ethyl-3-(4-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106614892
1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 79389653
1-(4-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 62795916
N-ethyl-2-fluoro-N-[3-(4-fluorophenoxy)propyl]benzamide
CID 11961102
2-[4-[(1Z,3E)-2-chloro-1-(4-fluorophenyl)-3-methylpenta-1,3-dienyl]phenoxy]-N,N-diethylethanamine
CID 164901752
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925
3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol
CID 115666232
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol (CID 78963624) is 1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol is CCN(CCCOc1ccc(F)cc1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol?
The InChIKey is RQPZQXIKTVPHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-4-17(12-15(2,3)18)10-5-11-19-14-8-6-13(16)7-9-14/h6-9,18H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol?
1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[3-(4-fluorophenoxy)propyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 78963624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).