1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine

C12H16BrN — CID 114331069

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine
SMILESCc1cc(C2(N)CC2C)cc(C)c1Br
InChIInChI=1S/C12H16BrN/c1-7-4-10(5-8(2)11(7)13)12(14)6-9(12)3/h4-5,9H,6,14H2,1-3H3
InChIKeySFVFOAHWICFMSO-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.26
Rot. Bonds1

About 1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine

1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine (PubChem CID 114331069) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine
PubChem CID114331069
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine
SMILESCc1cc(C2(N)CC2C)cc(C)c1Br
InChIInChI=1S/C12H16BrN/c1-7-4-10(5-8(2)11(7)13)12(14)6-9(12)3/h4-5,9H,6,14H2,1-3H3
InChIKeySFVFOAHWICFMSO-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine (CID 114331069) is 1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine is Cc1cc(C2(N)CC2C)cc(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine?
The InChIKey is SFVFOAHWICFMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-7-4-10(5-8(2)11(7)13)12(14)6-9(12)3/h4-5,9H,6,14H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine?
1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine is sourced from PubChem (CID 114331069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).