1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine

C17H19ClFN — CID 63419710

IUPAC1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H19ClFN/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-8-7-14(19)10-16(15)18/h3-8,10-11,17H,9,20H2,1-2H3
InChIKeyCLHMHCJVZVISLR-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.84
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine

1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 63419710) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID63419710
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H19ClFN/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-8-7-14(19)10-16(15)18/h3-8,10-11,17H,9,20H2,1-2H3
InChIKeyCLHMHCJVZVISLR-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 61077601
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63420064
1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 170073168
1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
CID 62945198
1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 114906232
1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine
CID 107476079
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
1-(2-chloro-4-fluorophenyl)ethane-1,2-diamine
CID 55270283
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
(1S)-1-(2-chloro-4-fluorophenyl)hexan-1-amine
CID 171223780
1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine
CID 62944368

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine (CID 63419710) is 1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(CC(N)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is CLHMHCJVZVISLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-8-7-14(19)10-16(15)18/h3-8,10-11,17H,9,20H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine?
1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 63419710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).