N-[(2,4-difluorophenyl)methyl]butan-2-amine

C11H15F2N — CID 43177291

IUPACN-[(2,4-difluorophenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(F)cc1F
InChIInChI=1S/C11H15F2N/c1-3-8(2)14-7-9-4-5-10(12)6-11(9)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyIGOSZLFAANMAOG-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.85
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]butan-2-amine

N-[(2,4-difluorophenyl)methyl]butan-2-amine (PubChem CID 43177291) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]butan-2-amine
PubChem CID43177291
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(F)cc1F
InChIInChI=1S/C11H15F2N/c1-3-8(2)14-7-9-4-5-10(12)6-11(9)13/h4-6,8,14H,3,7H2,1-2H3
InChIKeyIGOSZLFAANMAOG-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 115714661
1-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 62195914
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221166
N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine
CID 114088251
N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 62049142
N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057095
2-[(2,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057403
1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 79560149
2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62050086

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]butan-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]butan-2-amine (CID 43177291) is N-[(2,4-difluorophenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]butan-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]butan-2-amine is CCC(C)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]butan-2-amine?
The InChIKey is IGOSZLFAANMAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-8(2)14-7-9-4-5-10(12)6-11(9)13/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]butan-2-amine?
N-[(2,4-difluorophenyl)methyl]butan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]butan-2-amine is sourced from PubChem (CID 43177291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).