2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine

C14H18BrF2N — CID 105087726

IUPAC2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine
SMILESNC(Cc1ccccc1Br)C1CCC(F)(F)CC1
InChIInChI=1S/C14H18BrF2N/c15-12-4-2-1-3-11(12)9-13(18)10-5-7-14(16,17)8-6-10/h1-4,10,13H,5-9,18H2
InChIKeyCKUCCDQFXHFVSL-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.14
Rot. Bonds3

About 2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine

2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine (PubChem CID 105087726) has the molecular formula C14H18BrF2N and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine
PubChem CID105087726
Molecular FormulaC14H18BrF2N
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine
SMILESNC(Cc1ccccc1Br)C1CCC(F)(F)CC1
InChIInChI=1S/C14H18BrF2N/c15-12-4-2-1-3-11(12)9-13(18)10-5-7-14(16,17)8-6-10/h1-4,10,13H,5-9,18H2
InChIKeyCKUCCDQFXHFVSL-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-1-(4,4-dimethylcyclohexyl)ethanamine
CID 65391214
2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine
CID 114216183
2-(2-bromophenyl)-1-(thiolan-3-yl)ethanamine
CID 105087716
1-(4,4-difluorocyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105188329
1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine
CID 105177457
1-(3,3-difluorocyclohexyl)-2-(2-fluorophenyl)ethanamine
CID 114215925
2-(2-bromophenyl)-1-(thiolan-2-yl)ethanamine
CID 80623175
(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine
CID 97110840
2-(2-amino-2-cyclopropylethyl)phenol
CID 83827756
1-cycloheptyl-2-(2-fluorophenyl)ethanamine
CID 62590179
1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243555
2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105088370

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine (CID 105087726) is 2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine is NC(Cc1ccccc1Br)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine?
The InChIKey is CKUCCDQFXHFVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2N/c15-12-4-2-1-3-11(12)9-13(18)10-5-7-14(16,17)8-6-10/h1-4,10,13H,5-9,18H2.
What are the key properties of 2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine?
2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine has a molecular weight of 318.20 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4,4-difluorocyclohexyl)ethanamine is sourced from PubChem (CID 105087726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).