1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine

C15H21BrFN — CID 79702457

IUPAC1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(N)(Cc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C15H21BrFN/c1-10-3-11(2)8-15(18,7-10)9-12-4-13(16)6-14(17)5-12/h4-6,10-11H,3,7-9,18H2,1-2H3
InChIKeyKMUHQJVMSWAONZ-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.28
Rot. Bonds2

About 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine

1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 79702457) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID79702457
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(N)(Cc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C15H21BrFN/c1-10-3-11(2)8-15(18,7-10)9-12-4-13(16)6-14(17)5-12/h4-6,10-11H,3,7-9,18H2,1-2H3
InChIKeyKMUHQJVMSWAONZ-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 79702899
1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 79711556
1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 79701490
1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine
CID 79701350
1-[(3-bromo-5-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-ol
CID 79702276
1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 114012589
1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 103047881
1-[(4-ethylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64751651
8-[(3-bromo-5-fluorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 79699258
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 79701481
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 79711478
3-[(3-bromo-5-fluorophenyl)methyl]-3-methylazetidine
CID 79711008

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 79702457) is 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(N)(Cc2cc(F)cc(Br)c2)C1.
What is the InChIKey of 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is KMUHQJVMSWAONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-10-3-11(2)8-15(18,7-10)9-12-4-13(16)6-14(17)5-12/h4-6,10-11H,3,7-9,18H2,1-2H3.
What are the key properties of 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79702457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).