1-(2,4-difluorophenyl)propan-2-amine;hydrochloride

C9H12ClF2N — CID 155973682

IUPAC1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1ccc(F)cc1F.Cl
InChIInChI=1S/C9H11F2N.ClH/c1-6(12)4-7-2-3-8(10)5-9(7)11;/h2-3,5-6H,4,12H2,1H3;1H
InChIKeyPCDXAGVJPQBAMK-UHFFFAOYSA-N
MW207.65 g/mol
LogP2.28
Rot. Bonds2

About 1-(2,4-difluorophenyl)propan-2-amine;hydrochloride

1-(2,4-difluorophenyl)propan-2-amine;hydrochloride (PubChem CID 155973682) has the molecular formula C9H12ClF2N and a molecular weight of 207.65 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
PubChem CID155973682
Molecular FormulaC9H12ClF2N
Molecular Weight207.65 g/mol
Exact Mass207.06
IUPAC Name1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
SMILESCC(N)Cc1ccc(F)cc1F.Cl
InChIInChI=1S/C9H11F2N.ClH/c1-6(12)4-7-2-3-8(10)5-9(7)11;/h2-3,5-6H,4,12H2,1H3;1H
InChIKeyPCDXAGVJPQBAMK-UHFFFAOYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.65
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-(2,4-difluorophenyl)propane-2-sulfonamide
CID 172765105
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196738
2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 64559658
1-[5-fluoro-2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 147165648
1-[4-fluoro-2-(methoxymethyl)phenyl]propan-2-amine
CID 117287117

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(2,4-difluorophenyl)propan-2-amine;hydrochloride (CID 155973682) is 1-(2,4-difluorophenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,4-difluorophenyl)propan-2-amine;hydrochloride is CC(N)Cc1ccc(F)cc1F.Cl.
What is the InChIKey of 1-(2,4-difluorophenyl)propan-2-amine;hydrochloride?
The InChIKey is PCDXAGVJPQBAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N.ClH/c1-6(12)4-7-2-3-8(10)5-9(7)11;/h2-3,5-6H,4,12H2,1H3;1H.
What are the key properties of 1-(2,4-difluorophenyl)propan-2-amine;hydrochloride?
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride has a molecular weight of 207.65 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 155973682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).