N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine

C15H19BrFN — CID 81017852

IUPACN-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESFc1cc(Br)cc(CC2CCC2CNC2CC2)c1
InChIInChI=1S/C15H19BrFN/c16-13-6-10(7-14(17)8-13)5-11-1-2-12(11)9-18-15-3-4-15/h6-8,11-12,15,18H,1-5,9H2
InChIKeyZGTTZKXCALWAJF-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.91
Rot. Bonds5

About N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine

N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine (PubChem CID 81017852) has the molecular formula C15H19BrFN and a molecular weight of 312.23 g/mol. Its IUPAC name is N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
PubChem CID81017852
Molecular FormulaC15H19BrFN
Molecular Weight312.23 g/mol
Exact Mass311.07
IUPAC NameN-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESFc1cc(Br)cc(CC2CCC2CNC2CC2)c1
InChIInChI=1S/C15H19BrFN/c16-13-6-10(7-14(17)8-13)5-11-1-2-12(11)9-18-15-3-4-15/h6-8,11-12,15,18H,1-5,9H2
InChIKeyZGTTZKXCALWAJF-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-[(2-bromocyclohexyl)methyl]-5-fluorobenzene
CID 79709732
N-[(3-bromo-5-fluorophenyl)methyl]-4-chlorocyclohexan-1-amine
CID 79708463
3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 79711062
1-[(3-bromo-5-fluorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926791
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 79701432
N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 105411454
[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009547
N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017966
N-[2-[(3-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83138740
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 104813951
[2-[(3-bromo-5-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanamine
CID 81011817
N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83150975

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine (CID 81017852) is N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine is Fc1cc(Br)cc(CC2CCC2CNC2CC2)c1.
What is the InChIKey of N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The InChIKey is ZGTTZKXCALWAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN/c16-13-6-10(7-14(17)8-13)5-11-1-2-12(11)9-18-15-3-4-15/h6-8,11-12,15,18H,1-5,9H2.
What are the key properties of N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine has a molecular weight of 312.23 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-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 81017852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).