(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine

C15H20BrF2N — CID 104992584

IUPAC(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
SMILESCCC1CCCC(C(N)c2c(F)cc(Br)cc2F)C1
InChIInChI=1S/C15H20BrF2N/c1-2-9-4-3-5-10(6-9)15(19)14-12(17)7-11(16)8-13(14)18/h7-10,15H,2-6,19H2,1H3
InChIKeySGFFQNXDCZPQLW-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.94
Rot. Bonds3

About (4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine

(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine (PubChem CID 104992584) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
PubChem CID104992584
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
SMILESCCC1CCCC(C(N)c2c(F)cc(Br)cc2F)C1
InChIInChI=1S/C15H20BrF2N/c1-2-9-4-3-5-10(6-9)15(19)14-12(17)7-11(16)8-13(14)18/h7-10,15H,2-6,19H2,1H3
InChIKeySGFFQNXDCZPQLW-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171206717
1-(4-bromo-2,6-difluorophenyl)-2-cyclobutylethanamine
CID 115863908
(4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989591
(S)-(4-bromo-2,6-difluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 171226288
(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol
CID 115808567
(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881656
(3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine
CID 65414138
(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65414540
(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 65415344
(2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992313
(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol
CID 171268665

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine (CID 104992584) is (4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine is CCC1CCCC(C(N)c2c(F)cc(Br)cc2F)C1.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine?
The InChIKey is SGFFQNXDCZPQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-2-9-4-3-5-10(6-9)15(19)14-12(17)7-11(16)8-13(14)18/h7-10,15H,2-6,19H2,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine?
(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine has a molecular weight of 332.23 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine is sourced from PubChem (CID 104992584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).