1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine

C14H19BrFN — CID 81033459

IUPAC1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
SMILESCNCC1CCCC1Cc1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFN/c1-17-9-11-4-2-3-10(11)7-12-8-13(16)5-6-14(12)15/h5-6,8,10-11,17H,2-4,7,9H2,1H3
InChIKeyQYPNVMFFWNUQIO-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.77
Rot. Bonds4

About 1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine

1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine (PubChem CID 81033459) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
PubChem CID81033459
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
SMILESCNCC1CCCC1Cc1cc(F)ccc1Br
InChIInChI=1S/C14H19BrFN/c1-17-9-11-4-2-3-10(11)7-12-8-13(16)5-6-14(12)15/h5-6,8,10-11,17H,2-4,7,9H2,1H3
InChIKeyQYPNVMFFWNUQIO-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102621851
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016867
1-[2-[(4-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81032819
3-[(2-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908983
2-[(2-bromo-5-fluorophenyl)methyl]cyclobutan-1-amine
CID 81015031
N-[[2-[(2-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027861
N-[[2-[(2-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81028471
1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
CID 64910113
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102621838
N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033071
1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81031224
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine (CID 81033459) is 1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine is CNCC1CCCC1Cc1cc(F)ccc1Br.
What is the InChIKey of 1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine?
The InChIKey is QYPNVMFFWNUQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-17-9-11-4-2-3-10(11)7-12-8-13(16)5-6-14(12)15/h5-6,8,10-11,17H,2-4,7,9H2,1H3.
What are the key properties of 1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine?
1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine has a molecular weight of 300.21 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine is sourced from PubChem (CID 81033459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).