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

C14H19BrFN — CID 79701350

IUPAC1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine
SMILESNC1(Cc2cc(F)cc(Br)c2)CCCCCC1
InChIInChI=1S/C14H19BrFN/c15-12-7-11(8-13(16)9-12)10-14(17)5-3-1-2-4-6-14/h7-9H,1-6,10,17H2
InChIKeyXXOBLNBSRXDARW-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.18
Rot. Bonds2

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

1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine (PubChem CID 79701350) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine
PubChem CID79701350
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine
SMILESNC1(Cc2cc(F)cc(Br)c2)CCCCCC1
InChIInChI=1S/C14H19BrFN/c15-12-7-11(8-13(16)9-12)10-14(17)5-3-1-2-4-6-14/h7-9H,1-6,10,17H2
InChIKeyXXOBLNBSRXDARW-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 79701490
1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 79711556
1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 79702899
1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 79702457
2-[(3-bromo-5-fluorophenyl)methyl]-2-methylazepane
CID 79708666
2-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropylazepane
CID 79708908
1-[(4-bromophenyl)methyl]cyclooctan-1-amine
CID 80603993
N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine
CID 79710408
N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 79697362
3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 113420895
1-[(5-fluoro-3-pyridinyl)methyl]cyclopentan-1-amine
CID 130515276
1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 105403031

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine?
The IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine (CID 79701350) is 1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine is NC1(Cc2cc(F)cc(Br)c2)CCCCCC1.
What is the InChIKey of 1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine?
The InChIKey is XXOBLNBSRXDARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c15-12-7-11(8-13(16)9-12)10-14(17)5-3-1-2-4-6-14/h7-9H,1-6,10,17H2.
What are the key properties of 1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine?
1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine has a molecular weight of 300.21 g/mol, XLogP of 4.18, 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]cycloheptan-1-amine is sourced from PubChem (CID 79701350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).