[1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine

C11H13BrFN — CID 66023755

IUPAC[1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine
SMILESNCC1(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C11H13BrFN/c12-9-1-2-10(13)8(5-9)6-11(7-14)3-4-11/h1-2,5H,3-4,6-7,14H2
InChIKeySINQXSPEZIPXHZ-UHFFFAOYSA-N
MW258.13 g/mol
LogP2.87
Rot. Bonds3

About [1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine

[1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine (PubChem CID 66023755) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is [1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine
PubChem CID66023755
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name[1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine
SMILESNCC1(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C11H13BrFN/c12-9-1-2-10(13)8(5-9)6-11(7-14)3-4-11/h1-2,5H,3-4,6-7,14H2
InChIKeySINQXSPEZIPXHZ-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 65194695
[1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65392363
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 115244251
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65390913
[1-[(2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66024201
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115272674
1-[1-(aminomethyl)cyclohexyl]-3-(5-bromo-2-fluorophenyl)propan-2-one
CID 116614498
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 63509584
3-[(5-bromo-2-fluorophenyl)methyl]-3-(bromomethyl)oxane
CID 66040862

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine?
The IUPAC name of [1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine (CID 66023755) is [1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine is NCC1(Cc2cc(Br)ccc2F)CC1.
What is the InChIKey of [1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine?
The InChIKey is SINQXSPEZIPXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-9-1-2-10(13)8(5-9)6-11(7-14)3-4-11/h1-2,5H,3-4,6-7,14H2.
What are the key properties of [1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine?
[1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine has a molecular weight of 258.13 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine is sourced from PubChem (CID 66023755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).