1,3-bis(2,4-difluorophenyl)propan-2-amine

C15H13F4N — CID 64561196

IUPAC1,3-bis(2,4-difluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(F)cc1F)Cc1ccc(F)cc1F
InChIInChI=1S/C15H13F4N/c16-11-3-1-9(14(18)7-11)5-13(20)6-10-2-4-12(17)8-15(10)19/h1-4,7-8,13H,5-6,20H2
InChIKeySKYUSZWNBWDYFW-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.36
Rot. Bonds4

About 1,3-bis(2,4-difluorophenyl)propan-2-amine

1,3-bis(2,4-difluorophenyl)propan-2-amine (PubChem CID 64561196) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 1,3-bis(2,4-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1,3-bis(2,4-difluorophenyl)propan-2-amine
PubChem CID64561196
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1,3-bis(2,4-difluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(F)cc1F)Cc1ccc(F)cc1F
InChIInChI=1S/C15H13F4N/c16-11-3-1-9(14(18)7-11)5-13(20)6-10-2-4-12(17)8-15(10)19/h1-4,7-8,13H,5-6,20H2
InChIKeySKYUSZWNBWDYFW-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3-thiophen-3-ylpropan-2-amine
CID 64559079
1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 64561389
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135064
1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
CID 62196088
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
1-(4-chlorophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66145347
1-(2,4-difluorophenyl)-5-phenylpentan-2-amine
CID 64559852
1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103311785
1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66056883
1-(2,4-difluorophenyl)-5-methylsulfonylpentan-2-amine
CID 64558701
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4-difluorophenyl)propan-2-amine?
The IUPAC name of 1,3-bis(2,4-difluorophenyl)propan-2-amine (CID 64561196) is 1,3-bis(2,4-difluorophenyl)propan-2-amine.
What is the SMILES notation for 1,3-bis(2,4-difluorophenyl)propan-2-amine?
The canonical SMILES for 1,3-bis(2,4-difluorophenyl)propan-2-amine is NC(Cc1ccc(F)cc1F)Cc1ccc(F)cc1F.
What is the InChIKey of 1,3-bis(2,4-difluorophenyl)propan-2-amine?
The InChIKey is SKYUSZWNBWDYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c16-11-3-1-9(14(18)7-11)5-13(20)6-10-2-4-12(17)8-15(10)19/h1-4,7-8,13H,5-6,20H2.
What are the key properties of 1,3-bis(2,4-difluorophenyl)propan-2-amine?
1,3-bis(2,4-difluorophenyl)propan-2-amine has a molecular weight of 283.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4-difluorophenyl)propan-2-amine is sourced from PubChem (CID 64561196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).