3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine

C14H19BrFN — CID 79711062

IUPAC3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(Cc2cc(F)cc(Br)c2)C1C
InChIInChI=1S/C14H19BrFN/c1-9-11(3-4-14(9)17-2)5-10-6-12(15)8-13(16)7-10/h6-9,11,14,17H,3-5H2,1-2H3
InChIKeyTWHDKDRTZNHRNK-UHFFFAOYSA-N
MW300.22 g/mol
LogP3.76
Rot. Bonds3

About 3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine

3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine (PubChem CID 79711062) has the molecular formula C14H19BrFN and a molecular weight of 300.22 g/mol. Its IUPAC name is 3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
PubChem CID79711062
Molecular FormulaC14H19BrFN
Molecular Weight300.22 g/mol
Exact Mass299.07
IUPAC Name3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
SMILESCNC1CCC(Cc2cc(F)cc(Br)c2)C1C
InChIInChI=1S/C14H19BrFN/c1-9-11(3-4-14(9)17-2)5-10-6-12(15)8-13(16)7-10/h6-9,11,14,17H,3-5H2,1-2H3
InChIKeyTWHDKDRTZNHRNK-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 79703128
N-[(3-bromo-5-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 79709823
3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908983
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 79701432
N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017852
[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009547
1-bromo-3-[(2-bromocyclohexyl)methyl]-5-fluorobenzene
CID 79709732
2-[(3,5-difluorophenyl)methyl]-N-methylcycloheptan-1-amine
CID 105404534
3-[(2-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908987
[2-[(3-bromo-5-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanamine
CID 81011817
4-tert-butyl-2-[(3,5-difluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 105404547
1-bromo-3-[(2-chloro-5-ethylcyclohexyl)methyl]-5-fluorobenzene
CID 79709081

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine?
The IUPAC name of 3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine (CID 79711062) is 3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine is CNC1CCC(Cc2cc(F)cc(Br)c2)C1C.
What is the InChIKey of 3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine?
The InChIKey is TWHDKDRTZNHRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-9-11(3-4-14(9)17-2)5-10-6-12(15)8-13(16)7-10/h6-9,11,14,17H,3-5H2,1-2H3.
What are the key properties of 3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine?
3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine has a molecular weight of 300.22 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79711062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).