1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine

C13H18BrNO2 — CID 117483351

IUPAC1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(Br)cc(CC2(N)CC2)c(OC)c1C
InChIInChI=1S/C13H18BrNO2/c1-8-11(16-2)9(7-13(15)4-5-13)6-10(14)12(8)17-3/h6H,4-5,7,15H2,1-3H3
InChIKeyMVTYRTHXSFHTJS-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.81
Rot. Bonds4

About 1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine

1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117483351) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine
PubChem CID117483351
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(Br)cc(CC2(N)CC2)c(OC)c1C
InChIInChI=1S/C13H18BrNO2/c1-8-11(16-2)9(7-13(15)4-5-13)6-10(14)12(8)17-3/h6H,4-5,7,15H2,1-3H3
InChIKeyMVTYRTHXSFHTJS-UHFFFAOYSA-N
XLogP2.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-bromo-3-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489110
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117486842
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117333685
1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437506
1-[(3-bromo-4-methoxy-5-methylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 117486894
1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117483540
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
1-[(6-bromo-2-methoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117428483
(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
2-[(1-aminocyclopropyl)methyl]-4-bromo-5-methylphenol
CID 117393309
1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437511
1-[(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine
CID 117499282

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine (CID 117483351) is 1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine is COc1c(Br)cc(CC2(N)CC2)c(OC)c1C.
What is the InChIKey of 1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is MVTYRTHXSFHTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-8-11(16-2)9(7-13(15)4-5-13)6-10(14)12(8)17-3/h6H,4-5,7,15H2,1-3H3.
What are the key properties of 1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine?
1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 300.20 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117483351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).