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

C10H13F2N — CID 23548231

IUPACN-[(2,4-difluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)cc1F
InChIInChI=1S/C10H13F2N/c1-7(2)13-6-8-3-4-9(11)5-10(8)12/h3-5,7,13H,6H2,1-2H3
InChIKeyLVTPOQDGWZBUEY-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.46
Rot. Bonds3

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

N-[(2,4-difluorophenyl)methyl]propan-2-amine (PubChem CID 23548231) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]propan-2-amine
PubChem CID23548231
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)cc1F
InChIInChI=1S/C10H13F2N/c1-7(2)13-6-8-3-4-9(11)5-10(8)12/h3-5,7,13H,6H2,1-2H3
InChIKeyLVTPOQDGWZBUEY-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]propan-2-amine (CID 23548231) is N-[(2,4-difluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]propan-2-amine is CC(C)NCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]propan-2-amine?
The InChIKey is LVTPOQDGWZBUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-7(2)13-6-8-3-4-9(11)5-10(8)12/h3-5,7,13H,6H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]propan-2-amine?
N-[(2,4-difluorophenyl)methyl]propan-2-amine has a molecular weight of 185.22 g/mol, XLogP of 2.46, 3 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]propan-2-amine is sourced from PubChem (CID 23548231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).