3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol

C15H25FN2O — CID 64898179

IUPAC3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol
SMILESCCNC(CCO)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C15H25FN2O/c1-4-17-13(9-10-19)11-18(3)12(2)14-7-5-6-8-15(14)16/h5-8,12-13,17,19H,4,9-11H2,1-3H3
InChIKeyASNXBDXWHODBNI-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.18
Rot. Bonds8

About 3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol

3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol (PubChem CID 64898179) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol
PubChem CID64898179
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol
SMILESCCNC(CCO)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C15H25FN2O/c1-4-17-13(9-10-19)11-18(3)12(2)14-7-5-6-8-15(14)16/h5-8,12-13,17,19H,4,9-11H2,1-3H3
InChIKeyASNXBDXWHODBNI-UHFFFAOYSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62980033
4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
CID 106799773
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505692
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
2-[1-(2-fluorophenyl)ethyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 55140277
2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554579
2-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpentan-1-amine
CID 65013097
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
CID 113440610
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol
CID 62983990
3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol
CID 64900540
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol (CID 64898179) is 3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol is CCNC(CCO)CN(C)C(C)c1ccccc1F.
What is the InChIKey of 3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol?
The InChIKey is ASNXBDXWHODBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-4-17-13(9-10-19)11-18(3)12(2)14-7-5-6-8-15(14)16/h5-8,12-13,17,19H,4,9-11H2,1-3H3.
What are the key properties of 3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol?
3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol is sourced from PubChem (CID 64898179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).