[2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine

C15H21BrFN — CID 81011493

IUPAC[2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)C(c2cc(Br)ccc2F)C1
InChIInChI=1S/C15H21BrFN/c1-15(2)6-5-10(9-18)13(8-15)12-7-11(16)3-4-14(12)17/h3-4,7,10,13H,5-6,8-9,18H2,1-2H3
InChIKeyVAZJDZMKVIJPPK-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.46
Rot. Bonds2

About [2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine

[2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine (PubChem CID 81011493) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is [2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine
PubChem CID81011493
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name[2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)C(c2cc(Br)ccc2F)C1
InChIInChI=1S/C15H21BrFN/c1-15(2)6-5-10(9-18)13(8-15)12-7-11(16)3-4-14(12)17/h3-4,7,10,13H,5-6,8-9,18H2,1-2H3
InChIKeyVAZJDZMKVIJPPK-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine with MolForge

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Related Compounds

[(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanamine
CID 94556792
[2-(2-fluoro-4,6-dimethylphenyl)-4,4-dimethylcyclohexyl]methanamine
CID 106882861
2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine
CID 81014478
[2-[(4-bromophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81011643
[2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81012625
[2-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81011754
[2-(4-cyclobutylphenyl)-4,4-dimethylcyclohexyl]methanamine
CID 116507076
[2-(2,5-difluorophenyl)-4-methylcyclohexyl]methanamine
CID 81010421
[2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine
CID 104663423
[2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine
CID 114666692
3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol
CID 79740139
[4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methanamine
CID 113297409

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine (CID 81011493) is [2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine is CC1(C)CCC(CN)C(c2cc(Br)ccc2F)C1.
What is the InChIKey of [2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is VAZJDZMKVIJPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-15(2)6-5-10(9-18)13(8-15)12-7-11(16)3-4-14(12)17/h3-4,7,10,13H,5-6,8-9,18H2,1-2H3.
What are the key properties of [2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine?
[2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 314.24 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 81011493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).