4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine

C22H20Cl2FN — CID 19073569

IUPAC4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C22H20Cl2FN/c1-14(26)19(11-15-7-10-20(23)21(24)12-15)17-8-9-18(22(25)13-17)16-5-3-2-4-6-16/h2-10,12-14,19H,11,26H2,1H3
InChIKeyRLZNLCZUULENFK-UHFFFAOYSA-N
MW388.31 g/mol
LogP6.47
Rot. Bonds5

About 4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine

4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine (PubChem CID 19073569) has the molecular formula C22H20Cl2FN and a molecular weight of 388.31 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine
PubChem CID19073569
Molecular FormulaC22H20Cl2FN
Molecular Weight388.31 g/mol
Exact Mass387.10
IUPAC Name4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C22H20Cl2FN/c1-14(26)19(11-15-7-10-20(23)21(24)12-15)17-8-9-18(22(25)13-17)16-5-3-2-4-6-16/h2-10,12-14,19H,11,26H2,1H3
InChIKeyRLZNLCZUULENFK-UHFFFAOYSA-N
XLogP6.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine with MolForge

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Related Compounds

Cis-2-((2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 24857759
1-(1-(3,4-Dichlorophenyl)cyclohexyl)-3-methylbutan-1-amine
CID 24860903
trans-((2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 53320779
[2-(3,4-Dichloro-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061899
cis-2-((2R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 16656803
C-[3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2-yl]-methylamine
CID 20161638
trans-(2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24857666
trans-(2S,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24857667
cis-(2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24857668
cis-(2R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24857669
1-(1-(3,4-Dichlorophenyl)cyclohexyl)propan-1-amine
CID 24860831
1-(1-(3,4-Dichlorophenyl)cyclohexyl)ethanamine
CID 24860904

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine (CID 19073569) is 4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine is CC(N)C(Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine?
The InChIKey is RLZNLCZUULENFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FN/c1-14(26)19(11-15-7-10-20(23)21(24)12-15)17-8-9-18(22(25)13-17)16-5-3-2-4-6-16/h2-10,12-14,19H,11,26H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine?
4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine has a molecular weight of 388.31 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3-(3-fluoro-4-phenylphenyl)butan-2-amine is sourced from PubChem (CID 19073569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).