1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine

C11H13BrFN — CID 117398401

IUPAC1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cc(Br)cc(CC2(N)CC2)c1F
InChIInChI=1S/C11H13BrFN/c1-7-4-9(12)5-8(10(7)13)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3
InChIKeyWCRNGAHCTQHQCA-UHFFFAOYSA-N
MW258.13 g/mol
LogP2.93
Rot. Bonds2

About 1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine

1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117398401) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine
PubChem CID117398401
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cc(Br)cc(CC2(N)CC2)c1F
InChIInChI=1S/C11H13BrFN/c1-7-4-9(12)5-8(10(7)13)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3
InChIKeyWCRNGAHCTQHQCA-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1-aminocyclopropyl)methyl]-4-bromo-6-methylphenol
CID 117393315
1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117446809
1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 79711556
2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol
CID 117393309
N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine
CID 84796697
1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117286906
(5-bromo-2-fluoro-3-methylphenyl)methyl acetate
CID 130140647
3-(5-bromo-2-fluoro-3-methylphenyl)propan-1-ol
CID 117369472
1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117304677
3-(5-bromo-2-fluoro-3-methylphenyl)propanal
CID 117363991
1-[(5-bromo-3-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489110
1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 117409349

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine (CID 117398401) is 1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine is Cc1cc(Br)cc(CC2(N)CC2)c1F.
What is the InChIKey of 1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is WCRNGAHCTQHQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-7-4-9(12)5-8(10(7)13)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3.
What are the key properties of 1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine?
1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 258.13 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117398401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).