2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol

C13H19F2NO — CID 115137699

IUPAC2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCCc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO/c1-9(2)13(8-17)16-6-5-10-7-11(14)3-4-12(10)15/h3-4,7,9,13,16-17H,5-6,8H2,1-2H3
InChIKeyJFVKGGRWQJGBQX-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.11
Rot. Bonds6

About 2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol

2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol (PubChem CID 115137699) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol
PubChem CID115137699
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NCCc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO/c1-9(2)13(8-17)16-6-5-10-7-11(14)3-4-12(10)15/h3-4,7,9,13,16-17H,5-6,8H2,1-2H3
InChIKeyJFVKGGRWQJGBQX-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137737
N-[2-(2,5-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 115726285
N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 115726286
2-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-methylbutan-1-ol
CID 79249000
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137787
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255910
3-[(2,5-difluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448600
methyl (2R)-2-[2-(2,5-difluorophenyl)ethylamino]butanoate
CID 129402328
3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol
CID 115137751
2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 115137696
N-[2-(5-chloro-2-fluorophenyl)ethyl]propan-2-amine
CID 82471422

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol (CID 115137699) is 2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol is CC(C)C(CO)NCCc1cc(F)ccc1F.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol?
The InChIKey is JFVKGGRWQJGBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-9(2)13(8-17)16-6-5-10-7-11(14)3-4-12(10)15/h3-4,7,9,13,16-17H,5-6,8H2,1-2H3.
What are the key properties of 2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol?
2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol has a molecular weight of 243.30 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115137699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).