1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine

C13H18BrNO — CID 84812944

IUPAC1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
SMILESCOc1c(Br)cc(C(C)C)cc1C1(N)CC1
InChIInChI=1S/C13H18BrNO/c1-8(2)9-6-10(13(15)4-5-13)12(16-3)11(14)7-9/h6-8H,4-5,15H2,1-3H3
InChIKeyRCVNTOAUBWZDFY-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.53
Rot. Bonds3

About 1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine

1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine (PubChem CID 84812944) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
PubChem CID84812944
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
SMILESCOc1c(Br)cc(C(C)C)cc1C1(N)CC1
InChIInChI=1S/C13H18BrNO/c1-8(2)9-6-10(13(15)4-5-13)12(16-3)11(14)7-9/h6-8H,4-5,15H2,1-3H3
InChIKeyRCVNTOAUBWZDFY-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 117342983
1-(5-bromo-2-methoxy-3-propan-2-ylphenyl)cyclopropan-1-amine
CID 84812947
1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine
CID 82622115
2-(3-bromo-2-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117461457
1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 117499483
1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine
CID 84811248
1-(3-bromo-4,5-dimethoxyphenyl)cyclopropan-1-amine
CID 84809517
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84788006
1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 117494647
1-bromo-3-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzene
CID 23352453

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine (CID 84812944) is 1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine is COc1c(Br)cc(C(C)C)cc1C1(N)CC1.
What is the InChIKey of 1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine?
The InChIKey is RCVNTOAUBWZDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-8(2)9-6-10(13(15)4-5-13)12(16-3)11(14)7-9/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine?
1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine has a molecular weight of 284.20 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84812944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).