2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol

C12H18FNO — CID 112679656

IUPAC2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol
SMILESCCNC(CC)(CO)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-3-12(9-15,14-4-2)10-7-5-6-8-11(10)13/h5-8,14-15H,3-4,9H2,1-2H3
InChIKeyBYHOXBOPDDXJAV-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.03
Rot. Bonds5

About 2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol

2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol (PubChem CID 112679656) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol
PubChem CID112679656
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol
SMILESCCNC(CC)(CO)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-3-12(9-15,14-4-2)10-7-5-6-8-11(10)13/h5-8,14-15H,3-4,9H2,1-2H3
InChIKeyBYHOXBOPDDXJAV-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-2-(methylamino)butan-1-ol
CID 112679658
3-(ethylamino)-3-(2-fluorophenyl)pentanamide
CID 112680259
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol
CID 64806014
2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol
CID 61046917
1,1-difluoro-2-(2-fluorophenyl)butan-2-amine
CID 112680130
2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79447348
N-ethyl-2-(2-fluorophenyl)-2-methylpropan-1-amine
CID 62596416
2-(2-fluorophenyl)-1-(methylamino)propan-2-ol
CID 62774362
2-ethyl-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 62596055
5-ethyl-3-(2-fluorophenyl)heptan-3-ol
CID 112679496

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol?
The IUPAC name of 2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol (CID 112679656) is 2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol is CCNC(CC)(CO)c1ccccc1F.
What is the InChIKey of 2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol?
The InChIKey is BYHOXBOPDDXJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-12(9-15,14-4-2)10-7-5-6-8-11(10)13/h5-8,14-15H,3-4,9H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol?
2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(2-fluorophenyl)butan-1-ol is sourced from PubChem (CID 112679656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).