1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine

C16H16ClF2N — CID 114853577

IUPAC1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClF2N/c1-16(20,9-11-2-6-14(18)7-3-11)10-12-4-5-13(17)8-15(12)19/h2-8H,9-10,20H2,1H3
InChIKeyHFLLNIOZGGELJK-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.12
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine

1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine (PubChem CID 114853577) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
PubChem CID114853577
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1F
InChIInChI=1S/C16H16ClF2N/c1-16(20,9-11-2-6-14(18)7-3-11)10-12-4-5-13(17)8-15(12)19/h2-8H,9-10,20H2,1H3
InChIKeyHFLLNIOZGGELJK-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833840
1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 102617543
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833802
2-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833204
1-(4-fluorophenyl)-2-methyl-3-pyridin-4-ylpropan-2-amine
CID 114833720
4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene
CID 70931596
1-(4-chloro-2-fluorophenyl)-2,3,3-trimethylbutan-2-ol
CID 114852559
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 114347101
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
1-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)butan-2-amine
CID 114853514
1-[(4-chloro-2-fluorophenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 114849741

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine (CID 114853577) is 1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine is CC(N)(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
The InChIKey is HFLLNIOZGGELJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-16(20,9-11-2-6-14(18)7-3-11)10-12-4-5-13(17)8-15(12)19/h2-8H,9-10,20H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine has a molecular weight of 295.76 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 114853577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).