1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine

C10H11BrFN — CID 79711556

IUPAC1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C10H11BrFN/c11-8-3-7(4-9(12)5-8)6-10(13)1-2-10/h3-5H,1-2,6,13H2
InChIKeyNZAFIIBLXUYYBV-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.62
Rot. Bonds2

About 1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine

1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine (PubChem CID 79711556) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
PubChem CID79711556
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C10H11BrFN/c11-8-3-7(4-9(12)5-8)6-10(13)1-2-10/h3-5H,1-2,6,13H2
InChIKeyNZAFIIBLXUYYBV-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 79701490
1-[(3-bromo-5-fluorophenyl)methyl]cycloheptan-1-amine
CID 79701350
1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 79702457
1-[(3-bromo-5-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 79702899
3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 113420895
3-[(3-bromo-5-fluorophenyl)methyl]thietan-3-ol
CID 131076372
1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 79701214
3-[(3-bromo-5-fluorophenyl)methyl]-3-methylazetidine
CID 79711008
3-[(3-bromo-5-fluorophenyl)methyl]oxetan-3-ol
CID 164649441
1-bromo-3-fluoro-5-(fluoromethyl)benzene
CID 118045958
1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine
CID 79699262
1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117398401

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine (CID 79711556) is 1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine is NC1(Cc2cc(F)cc(Br)c2)CC1.
What is the InChIKey of 1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is NZAFIIBLXUYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-8-3-7(4-9(12)5-8)6-10(13)1-2-10/h3-5H,1-2,6,13H2.
What are the key properties of 1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine?
1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 244.11 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 79711556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).