1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine

C14H20BrNO2 — CID 117499649

IUPAC1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(Br)c(C2(C(C)N)CC2)c(C)c1OC
InChIInChI=1S/C14H20BrNO2/c1-8-12(14(5-6-14)9(2)16)10(15)7-11(17-3)13(8)18-4/h7,9H,5-6,16H2,1-4H3
InChIKeyBOQBTSKDNMCUHD-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.15
Rot. Bonds4

About 1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine

1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine (PubChem CID 117499649) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine
PubChem CID117499649
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(Br)c(C2(C(C)N)CC2)c(C)c1OC
InChIInChI=1S/C14H20BrNO2/c1-8-12(14(5-6-14)9(2)16)10(15)7-11(17-3)13(8)18-4/h7,9H,5-6,16H2,1-4H3
InChIKeyBOQBTSKDNMCUHD-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657
1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117499472
1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine
CID 117118377
1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 117499483
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
CID 117465253
1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine
CID 117386300
2-[1-(1-aminoethyl)cyclopropyl]-3-bromo-4-fluoro-6-methoxyphenol
CID 117489178
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol
CID 117487902
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117422055
1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine
CID 117324448

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine (CID 117499649) is 1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine is COc1cc(Br)c(C2(C(C)N)CC2)c(C)c1OC.
What is the InChIKey of 1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine?
The InChIKey is BOQBTSKDNMCUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-8-12(14(5-6-14)9(2)16)10(15)7-11(17-3)13(8)18-4/h7,9H,5-6,16H2,1-4H3.
What are the key properties of 1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine?
1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine has a molecular weight of 314.22 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117499649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).