1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine

C13H18BrNO2 — CID 117483540

IUPAC1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
SMILESCOCc1cc(OC)c(Br)cc1CC1(N)CC1
InChIInChI=1S/C13H18BrNO2/c1-16-8-10-6-12(17-2)11(14)5-9(10)7-13(15)3-4-13/h5-6H,3-4,7-8,15H2,1-2H3
InChIKeyHRYMKGLJGTXSQU-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.64
Rot. Bonds5

About 1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine

1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117483540) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117483540
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
SMILESCOCc1cc(OC)c(Br)cc1CC1(N)CC1
InChIInChI=1S/C13H18BrNO2/c1-16-8-10-6-12(17-2)11(14)5-9(10)7-13(15)3-4-13/h5-6H,3-4,7-8,15H2,1-2H3
InChIKeyHRYMKGLJGTXSQU-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 117499584
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117381745
1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117483351
4-[(1-aminocyclopropyl)methyl]-2,5-dimethoxybenzenethiol
CID 168930817
1-[[3-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117316180
1-[(5-bromo-3-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489110
2-amino-1-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117468575
2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine
CID 117465245
1-[(6-bromo-2-fluoro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489103
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301

Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine (CID 117483540) is 1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine is COCc1cc(OC)c(Br)cc1CC1(N)CC1.
What is the InChIKey of 1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is HRYMKGLJGTXSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-16-8-10-6-12(17-2)11(14)5-9(10)7-13(15)3-4-13/h5-6H,3-4,7-8,15H2,1-2H3.
What are the key properties of 1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine?
1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 300.20 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117483540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).