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

C14H19BrFN — CID 79702899

IUPAC1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C14H19BrFN/c1-10-3-2-4-14(17,8-10)9-11-5-12(15)7-13(16)6-11/h5-7,10H,2-4,8-9,17H2,1H3
InChIKeySMOCRHQBAXSNIT-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.04
Rot. Bonds2

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

1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 79702899) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID79702899
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(Cc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C14H19BrFN/c1-10-3-2-4-14(17,8-10)9-11-5-12(15)7-13(16)6-11/h5-7,10H,2-4,8-9,17H2,1H3
InChIKeySMOCRHQBAXSNIT-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 79702457
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]cyclopropan-1-amine
CID 79711556
1-[(4-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 60798898
1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
CID 104802690
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 79701481
1-[(3,5-difluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430049
1-[(2-chloro-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 102617497
1-[(3-bromo-5-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-ol
CID 79702276
1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 79709978
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64514094

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine (CID 79702899) is 1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(N)(Cc2cc(F)cc(Br)c2)C1.
What is the InChIKey of 1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is SMOCRHQBAXSNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-10-3-2-4-14(17,8-10)9-11-5-12(15)7-13(16)6-11/h5-7,10H,2-4,8-9,17H2,1H3.
What are the key properties of 1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 300.21 g/mol, XLogP of 4.04, 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-methylcyclohexan-1-amine is sourced from PubChem (CID 79702899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).