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

C17H25ClFN — CID 65425532

IUPAC2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCC(C)C1CCC(C(N)Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H25ClFN/c1-11(2)12-3-5-13(6-4-12)17(20)9-14-7-8-15(19)10-16(14)18/h7-8,10-13,17H,3-6,9,20H2,1-2H3
InChIKeyHYRDHNSYZGPUAR-UHFFFAOYSA-N
MW297.84 g/mol
LogP4.81
Rot. Bonds4

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

2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine (PubChem CID 65425532) has the molecular formula C17H25ClFN and a molecular weight of 297.84 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
PubChem CID65425532
Molecular FormulaC17H25ClFN
Molecular Weight297.84 g/mol
Exact Mass297.17
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCC(C)C1CCC(C(N)Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C17H25ClFN/c1-11(2)12-3-5-13(6-4-12)17(20)9-14-7-8-15(19)10-16(14)18/h7-8,10-13,17H,3-6,9,20H2,1-2H3
InChIKeyHYRDHNSYZGPUAR-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.84
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105133425
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 105374002
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649
1-cyclopropyl-2-(2,4-dichlorophenyl)ethanamine
CID 62602404
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-(2-chloro-4-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107188247
2-(2-chloro-4-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 65020242
2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65403993
2-(2-chloro-4-fluorophenyl)-1-(2-methyloxolan-3-yl)ethanamine
CID 115840656
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447
2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
CID 106866830

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine (CID 65425532) is 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine is CC(C)C1CCC(C(N)Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The InChIKey is HYRDHNSYZGPUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-11(2)12-3-5-13(6-4-12)17(20)9-14-7-8-15(19)10-16(14)18/h7-8,10-13,17H,3-6,9,20H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine has a molecular weight of 297.84 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine is sourced from PubChem (CID 65425532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).