1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine

C14H20BrNO2 — CID 117499483

IUPAC1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine
SMILESCOc1cc(Br)c(C2(N)CC2)c(C(C)C)c1OC
InChIInChI=1S/C14H20BrNO2/c1-8(2)11-12(14(16)5-6-14)9(15)7-10(17-3)13(11)18-4/h7-8H,5-6,16H2,1-4H3
InChIKeyBFZYIQUTUMMYOL-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.54
Rot. Bonds4

About 1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine

1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine (PubChem CID 117499483) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine
PubChem CID117499483
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine
SMILESCOc1cc(Br)c(C2(N)CC2)c(C(C)C)c1OC
InChIInChI=1S/C14H20BrNO2/c1-8(2)11-12(14(16)5-6-14)9(15)7-10(17-3)13(11)18-4/h7-8H,5-6,16H2,1-4H3
InChIKeyBFZYIQUTUMMYOL-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117499472
1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine
CID 84809508
1-(3-bromo-4,5-dimethoxyphenyl)cyclopropan-1-amine
CID 84809517
1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine
CID 117499649
1-bromo-3-fluoro-4,5-dimethoxy-2-propan-2-ylbenzene
CID 59135186
1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 117342983
[1-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117456574
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol
CID 117487902
1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine
CID 84805227
1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 84812944

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine (CID 117499483) is 1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine is COc1cc(Br)c(C2(N)CC2)c(C(C)C)c1OC.
What is the InChIKey of 1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine?
The InChIKey is BFZYIQUTUMMYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-8(2)11-12(14(16)5-6-14)9(15)7-10(17-3)13(11)18-4/h7-8H,5-6,16H2,1-4H3.
What are the key properties of 1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine?
1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine has a molecular weight of 314.22 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 117499483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).