1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine

C13H18BrNO — CID 106951203

IUPAC1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine
SMILESCCCC1CC1(N)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H18BrNO/c1-3-4-10-8-13(10,15)9-5-6-12(16-2)11(14)7-9/h5-7,10H,3-4,8,15H2,1-2H3
InChIKeyFQHGZURAHXZCIA-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.43
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine

1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine (PubChem CID 106951203) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine
PubChem CID106951203
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine
SMILESCCCC1CC1(N)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H18BrNO/c1-3-4-10-8-13(10,15)9-5-6-12(16-2)11(14)7-9/h5-7,10H,3-4,8,15H2,1-2H3
InChIKeyFQHGZURAHXZCIA-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine
CID 79333872
1-(4-chloro-2-methoxyphenyl)-2-propylcyclopropan-1-amine
CID 106819819
1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine
CID 107915510
1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83743390
1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine
CID 106849725
2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene
CID 138473183
1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol
CID 79332815
2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 65019830
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
1-(3-fluoro-4-methoxyphenyl)-4-propylcycloheptan-1-amine
CID 65086410
[1-(3-bromo-4-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315194

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine (CID 106951203) is 1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine is CCCC1CC1(N)c1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine?
The InChIKey is FQHGZURAHXZCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-4-10-8-13(10,15)9-5-6-12(16-2)11(14)7-9/h5-7,10H,3-4,8,15H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine?
1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine has a molecular weight of 284.20 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine is sourced from PubChem (CID 106951203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).