1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine

C12H18BrNO2 — CID 117465285

IUPAC1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1cc(Br)cc(OC)c1CC(C)N
InChIInChI=1S/C12H18BrNO2/c1-8(14)4-11-9(7-15-2)5-10(13)6-12(11)16-3/h5-6,8H,4,7,14H2,1-3H3
InChIKeyZVDXBZMWCQYRTN-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.49
Rot. Bonds5

About 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine

1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine (PubChem CID 117465285) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine
PubChem CID117465285
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1cc(Br)cc(OC)c1CC(C)N
InChIInChI=1S/C12H18BrNO2/c1-8(14)4-11-9(7-15-2)5-10(13)6-12(11)16-3/h5-6,8H,4,7,14H2,1-3H3
InChIKeyZVDXBZMWCQYRTN-UHFFFAOYSA-N
XLogP2.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-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

(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-one
CID 117463007
2-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]-N-methylethanamine
CID 117465307
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol
CID 117439689
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
CID 117299172
(4-bromo-2,6-dimethoxyphenyl)methanamine
CID 130139852
1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine
CID 11300389
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine
CID 130691963
1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803114
2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride
CID 170891993

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine (CID 117465285) is 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine is COCc1cc(Br)cc(OC)c1CC(C)N.
What is the InChIKey of 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine?
The InChIKey is ZVDXBZMWCQYRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-8(14)4-11-9(7-15-2)5-10(13)6-12(11)16-3/h5-6,8H,4,7,14H2,1-3H3.
What are the key properties of 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine?
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine has a molecular weight of 288.19 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117465285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).