1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine

C11H15BrClNO2 — CID 169028862

IUPAC1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
SMILESCOc1cc(CC(C)N)c(OC)c(Cl)c1Br
InChIInChI=1S/C11H15BrClNO2/c1-6(14)4-7-5-8(15-2)9(12)10(13)11(7)16-3/h5-6H,4,14H2,1-3H3
InChIKeyZACSHHUFZNSCLW-UHFFFAOYSA-N
MW308.60 g/mol
LogP3.01
Rot. Bonds4

About 1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine

1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine (PubChem CID 169028862) has the molecular formula C11H15BrClNO2 and a molecular weight of 308.60 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
PubChem CID169028862
Molecular FormulaC11H15BrClNO2
Molecular Weight308.60 g/mol
Exact Mass307.00
IUPAC Name1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
SMILESCOc1cc(CC(C)N)c(OC)c(Cl)c1Br
InChIInChI=1S/C11H15BrClNO2/c1-6(14)4-7-5-8(15-2)9(12)10(13)11(7)16-3/h5-6H,4,14H2,1-3H3
InChIKeyZACSHHUFZNSCLW-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.60
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2,4,5-trimethoxyphenyl)propan-2-amine
CID 117489390
6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol
CID 117366752
1-[3-chloro-2,5-dimethoxy-4-(trifluoromethyl)phenyl]propan-2-amine
CID 169028870
(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117
1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117432479
1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine
CID 90237354
1-(3-bromo-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83902061
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117461403
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
1-(2,3,5-trimethoxy(613C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492453

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine?
The IUPAC name of 1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine (CID 169028862) is 1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine is COc1cc(CC(C)N)c(OC)c(Cl)c1Br.
What is the InChIKey of 1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine?
The InChIKey is ZACSHHUFZNSCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2/c1-6(14)4-7-5-8(15-2)9(12)10(13)11(7)16-3/h5-6H,4,14H2,1-3H3.
What are the key properties of 1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine?
1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine has a molecular weight of 308.60 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine is sourced from PubChem (CID 169028862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).