2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine

C16H23BrFN — CID 107188309

IUPAC2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
SMILESCC1(C)CCCCC1C(N)Cc1ccc(F)cc1Br
InChIInChI=1S/C16H23BrFN/c1-16(2)8-4-3-5-13(16)15(19)9-11-6-7-12(18)10-14(11)17/h6-7,10,13,15H,3-5,8-9,19H2,1-2H3
InChIKeyYZQJHBPUPUDKHF-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.67
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine

2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine (PubChem CID 107188309) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
PubChem CID107188309
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
SMILESCC1(C)CCCCC1C(N)Cc1ccc(F)cc1Br
InChIInChI=1S/C16H23BrFN/c1-16(2)8-4-3-5-13(16)15(19)9-11-6-7-12(18)10-14(11)17/h6-7,10,13,15H,3-5,8-9,19H2,1-2H3
InChIKeyYZQJHBPUPUDKHF-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-difluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine
CID 107179648
2-(2-bromo-4-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 80626889
[2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
CID 107005620
1-[1-amino-2-(2-bromo-4-fluorophenyl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79062191
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761603
2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107188007
2-(2-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066492
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107191661
2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107189012
[2-(2-bromo-4-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253344
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107187957

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine (CID 107188309) is 2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine is CC1(C)CCCCC1C(N)Cc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine?
The InChIKey is YZQJHBPUPUDKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-16(2)8-4-3-5-13(16)15(19)9-11-6-7-12(18)10-14(11)17/h6-7,10,13,15H,3-5,8-9,19H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine?
2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine has a molecular weight of 328.27 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(2,2-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 107188309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).