2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol

C15H24FNO2 — CID 115137706

IUPAC2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol
SMILESCCOc1ccc(CCNC(CO)C(C)C)cc1F
InChIInChI=1S/C15H24FNO2/c1-4-19-15-6-5-12(9-13(15)16)7-8-17-14(10-18)11(2)3/h5-6,9,11,14,17-18H,4,7-8,10H2,1-3H3
InChIKeySFXMBKUXOXTFKD-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.37
Rot. Bonds8

About 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol

2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 115137706) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID115137706
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol
SMILESCCOc1ccc(CCNC(CO)C(C)C)cc1F
InChIInChI=1S/C15H24FNO2/c1-4-19-15-6-5-12(9-13(15)16)7-8-17-14(10-18)11(2)3/h5-6,9,11,14,17-18H,4,7-8,10H2,1-3H3
InChIKeySFXMBKUXOXTFKD-UHFFFAOYSA-N
XLogP2.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591
2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 115137703
N-(2-chloroethyl)-2-(4-ethoxy-3-fluorophenyl)ethanamine
CID 115215056
2-(4-ethoxy-3-fluorophenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261118
4-(3-bromopropyl)-1-ethoxy-2-fluorobenzene
CID 118847164
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2-sulfanylacetamide
CID 115167384
4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide
CID 115155420
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 115163095
5-(4-ethoxy-3-fluorophenyl)pentan-2-amine
CID 116925039
N'-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 115206517
(2S)-2-[2-(4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 79249013
1-ethoxy-2-fluoro-4-(2-isocyanatoethyl)benzene
CID 95440368

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol (CID 115137706) is 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol is CCOc1ccc(CCNC(CO)C(C)C)cc1F.
What is the InChIKey of 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is SFXMBKUXOXTFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-4-19-15-6-5-12(9-13(15)16)7-8-17-14(10-18)11(2)3/h5-6,9,11,14,17-18H,4,7-8,10H2,1-3H3.
What are the key properties of 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol?
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 269.36 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115137706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).