1-(5-chloro-2,4-difluorophenyl)propan-2-amine

C9H10ClF2N — CID 117294361

IUPAC1-(5-chloro-2,4-difluorophenyl)propan-2-amine
SMILESCC(N)Cc1cc(Cl)c(F)cc1F
InChIInChI=1S/C9H10ClF2N/c1-5(13)2-6-3-7(10)9(12)4-8(6)11/h3-5H,2,13H2,1H3
InChIKeyXWTZTHSMMXCEJF-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.51
Rot. Bonds2

About 1-(5-chloro-2,4-difluorophenyl)propan-2-amine

1-(5-chloro-2,4-difluorophenyl)propan-2-amine (PubChem CID 117294361) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is 1-(5-chloro-2,4-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2,4-difluorophenyl)propan-2-amine
PubChem CID117294361
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name1-(5-chloro-2,4-difluorophenyl)propan-2-amine
SMILESCC(N)Cc1cc(Cl)c(F)cc1F
InChIInChI=1S/C9H10ClF2N/c1-5(13)2-6-3-7(10)9(12)4-8(6)11/h3-5H,2,13H2,1H3
InChIKeyXWTZTHSMMXCEJF-UHFFFAOYSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-fluoro-4-methylphenyl)propan-2-amine
CID 117290515
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894016
1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride
CID 3041172
4-(2-aminopropyl)-6-chloro-2,3-difluorophenol
CID 117317248
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372462
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 117296655
4-(2-aminopropyl)-5-fluoro-2-methylphenol
CID 117279524
1-chloro-2,4-difluoro-5-(fluoromethyl)benzene
CID 118802249
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-difluorophenyl)propan-2-amine?
The IUPAC name of 1-(5-chloro-2,4-difluorophenyl)propan-2-amine (CID 117294361) is 1-(5-chloro-2,4-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(5-chloro-2,4-difluorophenyl)propan-2-amine?
The canonical SMILES for 1-(5-chloro-2,4-difluorophenyl)propan-2-amine is CC(N)Cc1cc(Cl)c(F)cc1F.
What is the InChIKey of 1-(5-chloro-2,4-difluorophenyl)propan-2-amine?
The InChIKey is XWTZTHSMMXCEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N/c1-5(13)2-6-3-7(10)9(12)4-8(6)11/h3-5H,2,13H2,1H3.
What are the key properties of 1-(5-chloro-2,4-difluorophenyl)propan-2-amine?
1-(5-chloro-2,4-difluorophenyl)propan-2-amine has a molecular weight of 205.64 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-difluorophenyl)propan-2-amine is sourced from PubChem (CID 117294361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).