(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine

C13H15BrF3N — CID 105167450

IUPAC(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine
SMILESNC(c1cc(Br)ccc1F)C1CCC(F)(F)CC1
InChIInChI=1S/C13H15BrF3N/c14-9-1-2-11(15)10(7-9)12(18)8-3-5-13(16,17)6-4-8/h1-2,7-8,12H,3-6,18H2
InChIKeyWJGOONYJUJOBLW-UHFFFAOYSA-N
MW322.17 g/mol
LogP4.41
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine

(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine (PubChem CID 105167450) has the molecular formula C13H15BrF3N and a molecular weight of 322.17 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine
PubChem CID105167450
Molecular FormulaC13H15BrF3N
Molecular Weight322.17 g/mol
Exact Mass321.03
IUPAC Name(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine
SMILESNC(c1cc(Br)ccc1F)C1CCC(F)(F)CC1
InChIInChI=1S/C13H15BrF3N/c14-9-1-2-11(15)10(7-9)12(18)8-3-5-13(16,17)6-4-8/h1-2,7-8,12H,3-6,18H2
InChIKeyWJGOONYJUJOBLW-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol
CID 116941875
(2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 105142294
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
(3-bromo-2,6-difluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 106944847
(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79743119
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142839
(5-bromo-2-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105011945
2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
CID 130715689
3-[amino(cyclopropyl)methyl]-4-fluorophenol
CID 55296615

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine (CID 105167450) is (5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine is NC(c1cc(Br)ccc1F)C1CCC(F)(F)CC1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine?
The InChIKey is WJGOONYJUJOBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3N/c14-9-1-2-11(15)10(7-9)12(18)8-3-5-13(16,17)6-4-8/h1-2,7-8,12H,3-6,18H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine?
(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine has a molecular weight of 322.17 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine is sourced from PubChem (CID 105167450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).