1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine

C12H17F2N — CID 115641478

IUPAC1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCCC(NC(C)C)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2N/c1-4-12(15-8(2)3)10-6-5-9(13)7-11(10)14/h5-8,12,15H,4H2,1-3H3
InChIKeyWQKPEEYWCZMCLD-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.41
Rot. Bonds4

About 1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine

1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 115641478) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine
PubChem CID115641478
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCCC(NC(C)C)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2N/c1-4-12(15-8(2)3)10-6-5-9(13)7-11(10)14/h5-8,12,15H,4H2,1-3H3
InChIKeyWQKPEEYWCZMCLD-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 43680852
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
N-[1-(2,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871218
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
(2R)-2-[1-(2,4-difluorophenyl)ethylamino]butan-1-ol
CID 103922371
(S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 129130094
N-(2-bromoprop-2-enyl)-1-(2,4-difluorophenyl)propan-1-amine
CID 115717252
2-amino-N-[1-(2,4-difluorophenyl)propyl]acetamide
CID 119330686
3-amino-N-[1-(2,4-difluorophenyl)propyl]propanamide
CID 119330684
1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 43496303
1-(2,4-difluorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912601
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine (CID 115641478) is 1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine is CCC(NC(C)C)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is WQKPEEYWCZMCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-4-12(15-8(2)3)10-6-5-9(13)7-11(10)14/h5-8,12,15H,4H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine?
1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 115641478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).