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

C12H17F2N — CID 43177713

IUPACN-[(2,4-difluorophenyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1ccc(F)cc1F
InChIInChI=1S/C12H17F2N/c1-3-4-9(2)15-8-10-5-6-11(13)7-12(10)14/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyLZCIYPQACCWKKU-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.24
Rot. Bonds5

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

N-[(2,4-difluorophenyl)methyl]pentan-2-amine (PubChem CID 43177713) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]pentan-2-amine
PubChem CID43177713
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1ccc(F)cc1F
InChIInChI=1S/C12H17F2N/c1-3-4-9(2)15-8-10-5-6-11(13)7-12(10)14/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyLZCIYPQACCWKKU-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 81297245
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222007
4-fluoro-2-[(pentan-2-ylamino)methyl]benzonitrile
CID 107903665
N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
CID 62201141
N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 115726286
1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 115714661
N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 62049142
N-[(4-bromo-2-fluorophenyl)methyl]octan-2-amine
CID 43220783
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]pentan-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]pentan-2-amine (CID 43177713) is N-[(2,4-difluorophenyl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]pentan-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]pentan-2-amine is CCCC(C)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]pentan-2-amine?
The InChIKey is LZCIYPQACCWKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-4-9(2)15-8-10-5-6-11(13)7-12(10)14/h5-7,9,15H,3-4,8H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]pentan-2-amine?
N-[(2,4-difluorophenyl)methyl]pentan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 3.24, 5 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]pentan-2-amine is sourced from PubChem (CID 43177713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).