N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine

C14H19BrFN — CID 79861703

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFN/c1-14(2)7-3-4-13(14)17-9-10-5-6-12(16)11(15)8-10/h5-6,8,13,17H,3-4,7,9H2,1-2H3
InChIKeyGQBVMNIYOPQOSG-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.26
Rot. Bonds3

About N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine

N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79861703) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79861703
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H19BrFN/c1-14(2)7-3-4-13(14)17-9-10-5-6-12(16)11(15)8-10/h5-6,8,13,17H,3-4,7,9H2,1-2H3
InChIKeyGQBVMNIYOPQOSG-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 81436842
N-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861962
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395
2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol
CID 107740899
[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
CID 113365810
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79832369
N-[(3-bromo-4-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765892
2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 79857076
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 28551294
N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 104797025

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine (CID 79861703) is N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine is CC1(C)CCCC1NCc1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is GQBVMNIYOPQOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-14(2)7-3-4-13(14)17-9-10-5-6-12(16)11(15)8-10/h5-6,8,13,17H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 300.21 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79861703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).