N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine

C14H19BrFN — CID 65194817

IUPACN-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1(Cc2cc(F)ccc2Br)CCC1
InChIInChI=1S/C14H19BrFN/c1-2-17-10-14(6-3-7-14)9-11-8-12(16)4-5-13(11)15/h4-5,8,17H,2-3,6-7,9-10H2,1H3
InChIKeyPZBZKHNLNKISTM-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.91
Rot. Bonds5

About N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine

N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine (PubChem CID 65194817) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
PubChem CID65194817
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC NameN-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1(Cc2cc(F)ccc2Br)CCC1
InChIInChI=1S/C14H19BrFN/c1-2-17-10-14(6-3-7-14)9-11-8-12(16)4-5-13(11)15/h4-5,8,17H,2-3,6-7,9-10H2,1H3
InChIKeyPZBZKHNLNKISTM-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194197
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62726004
N-[[4-[(2-bromo-5-fluorophenyl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62904854
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685
N-[[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 114348910
N-[[1-[(3-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194315
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508188
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 106271392
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 105374909
N-[[3-[(2-bromo-5-methoxyphenyl)methyl]oxolan-3-yl]methyl]ethanamine
CID 65326633
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026264

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine (CID 65194817) is N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine is CCNCC1(Cc2cc(F)ccc2Br)CCC1.
What is the InChIKey of N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The InChIKey is PZBZKHNLNKISTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-2-17-10-14(6-3-7-14)9-11-8-12(16)4-5-13(11)15/h4-5,8,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine?
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine has a molecular weight of 300.21 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 65194817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).