1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine

C12H16BrNO — CID 117428483

IUPAC1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(C)ccc(Br)c1CC1(N)CC1
InChIInChI=1S/C12H16BrNO/c1-8-3-4-10(13)9(11(8)15-2)7-12(14)5-6-12/h3-4H,5-7,14H2,1-2H3
InChIKeyHCYUBLHCBVTWCB-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.80
Rot. Bonds3

About 1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine

1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117428483) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine
PubChem CID117428483
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(C)ccc(Br)c1CC1(N)CC1
InChIInChI=1S/C12H16BrNO/c1-8-3-4-10(13)9(11(8)15-2)7-12(14)5-6-12/h3-4H,5-7,14H2,1-2H3
InChIKeyHCYUBLHCBVTWCB-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol
CID 117393343
1-[(2,3-dimethoxy-4,6-dimethylphenyl)methyl]cyclopropan-1-amine
CID 117343091
1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine
CID 84805227
1-[(6-bromo-2-fluoro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489103
1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117483351
1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117324499
1,2-dibromo-3-methoxy-4-methylbenzene
CID 54359469
1-[(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine
CID 117499282
1-[(3-bromo-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117352424
1-[(4-bromo-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117352428
1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine
CID 105496609
3-bromo-2-methoxy-6-methylaniline
CID 84723819

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine (CID 117428483) is 1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine is COc1c(C)ccc(Br)c1CC1(N)CC1.
What is the InChIKey of 1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is HCYUBLHCBVTWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-3-4-10(13)9(11(8)15-2)7-12(14)5-6-12/h3-4H,5-7,14H2,1-2H3.
What are the key properties of 1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine?
1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 270.17 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117428483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).