1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine

C14H20BrNO2 — CID 117499657

IUPAC1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(C2(C(C)N)CC2)c(OC)c(Br)c1C
InChIInChI=1S/C14H20BrNO2/c1-8-11(17-3)7-10(13(18-4)12(8)15)14(5-6-14)9(2)16/h7,9H,5-6,16H2,1-4H3
InChIKeyXLVKUNIFCLIEDQ-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.15
Rot. Bonds4

About 1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine

1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine (PubChem CID 117499657) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
PubChem CID117499657
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(C2(C(C)N)CC2)c(OC)c(Br)c1C
InChIInChI=1S/C14H20BrNO2/c1-8-11(17-3)7-10(13(18-4)12(8)15)14(5-6-14)9(2)16/h7,9H,5-6,16H2,1-4H3
InChIKeyXLVKUNIFCLIEDQ-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-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine
CID 117499649
1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117457314
1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine
CID 117118377
1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117497496
1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117422055
5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343267
3-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethoxybenzaldehyde
CID 117376478
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117465009
6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343281
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine
CID 117408617

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine (CID 117499657) is 1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine is COc1cc(C2(C(C)N)CC2)c(OC)c(Br)c1C.
What is the InChIKey of 1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine?
The InChIKey is XLVKUNIFCLIEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-8-11(17-3)7-10(13(18-4)12(8)15)14(5-6-14)9(2)16/h7,9H,5-6,16H2,1-4H3.
What are the key properties of 1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine?
1-[1-(3-bromo-2,5-dimethoxy-4-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-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117499657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).