N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine

C13H19F2N — CID 115897219

IUPACN-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine
SMILESCC(NC(C)C(C)C)c1cccc(F)c1F
InChIInChI=1S/C13H19F2N/c1-8(2)9(3)16-10(4)11-6-5-7-12(14)13(11)15/h5-10,16H,1-4H3
InChIKeyFQXHFNGOEQYBCM-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine

N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine (PubChem CID 115897219) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine
PubChem CID115897219
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine
SMILESCC(NC(C)C(C)C)c1cccc(F)c1F
InChIInChI=1S/C13H19F2N/c1-8(2)9(3)16-10(4)11-6-5-7-12(14)13(11)15/h5-10,16H,1-4H3
InChIKeyFQXHFNGOEQYBCM-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 124510602
1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 103906175
1-cyclopropyl-N-[1-(2,3-difluorophenyl)ethyl]propan-2-amine
CID 103906225
N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide
CID 103878479
1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 103924707
N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 103924689
1-(2,3-difluorophenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 103924850
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
N-[(1R)-1-(2-fluorophenyl)ethyl]-1,1-dimethoxypropan-2-amine
CID 81380728
4-[1-(2,3-difluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 103924841
N-[1-(2,3-difluorophenyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 103924762

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine (CID 115897219) is N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine is CC(NC(C)C(C)C)c1cccc(F)c1F.
What is the InChIKey of N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine?
The InChIKey is FQXHFNGOEQYBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-8(2)9(3)16-10(4)11-6-5-7-12(14)13(11)15/h5-10,16H,1-4H3.
What are the key properties of N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine?
N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine has a molecular weight of 227.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-difluorophenyl)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 115897219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).