4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine

C13H18Cl2FN — CID 107443749

IUPAC4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CN)C(F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2FN/c1-8(2)10(7-17)12(16)6-9-4-3-5-11(14)13(9)15/h3-5,8,10,12H,6-7,17H2,1-2H3
InChIKeyPJLSALPXYXWYCJ-UHFFFAOYSA-N
MW278.20 g/mol
LogP4.10
Rot. Bonds5

About 4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine

4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine (PubChem CID 107443749) has the molecular formula C13H18Cl2FN and a molecular weight of 278.20 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine
PubChem CID107443749
Molecular FormulaC13H18Cl2FN
Molecular Weight278.20 g/mol
Exact Mass277.08
IUPAC Name4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CN)C(F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H18Cl2FN/c1-8(2)10(7-17)12(16)6-9-4-3-5-11(14)13(9)15/h3-5,8,10,12H,6-7,17H2,1-2H3
InChIKeyPJLSALPXYXWYCJ-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-3-[2-(1-chloroethyl)-3-methylbutyl]benzene
CID 107309498
4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
CID 83924705
2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 83924661
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
CID 95001596
2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 107309626
2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 107309627
2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine (CID 107443749) is 4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine is CC(C)C(CN)C(F)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine?
The InChIKey is PJLSALPXYXWYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2FN/c1-8(2)10(7-17)12(16)6-9-4-3-5-11(14)13(9)15/h3-5,8,10,12H,6-7,17H2,1-2H3.
What are the key properties of 4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine?
4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine has a molecular weight of 278.20 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 107443749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).