6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol

C11H16ClNO3 — CID 117366752

IUPAC6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol
SMILESCOc1cc(CC(C)N)c(O)c(Cl)c1OC
InChIInChI=1S/C11H16ClNO3/c1-6(13)4-7-5-8(15-2)11(16-3)9(12)10(7)14/h5-6,14H,4,13H2,1-3H3
InChIKeyXZJGDRYLLKUXDD-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.95
Rot. Bonds4

About 6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol

6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol (PubChem CID 117366752) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol.

Molecular Properties

Compound Name6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol
PubChem CID117366752
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol
SMILESCOc1cc(CC(C)N)c(O)c(Cl)c1OC
InChIInChI=1S/C11H16ClNO3/c1-6(13)4-7-5-8(15-2)11(16-3)9(12)10(7)14/h5-6,14H,4,13H2,1-3H3
InChIKeyXZJGDRYLLKUXDD-UHFFFAOYSA-N
XLogP1.95
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117432479
1-(4-bromo-3-chloro-2,5-dimethoxyphenyl)propan-2-amine
CID 169028862
1-(3-bromo-2,4,5-trimethoxyphenyl)propan-2-amine
CID 117489390
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117
1-[3-chloro-2,5-dimethoxy-4-(trifluoromethyl)phenyl]propan-2-amine
CID 169028870
(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
1-(3-chloro-2,5,6-trimethoxyphenyl)propan-2-amine
CID 117403670
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol?
The IUPAC name of 6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol (CID 117366752) is 6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol.
What is the SMILES notation for 6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol?
The canonical SMILES for 6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol is COc1cc(CC(C)N)c(O)c(Cl)c1OC.
What is the InChIKey of 6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol?
The InChIKey is XZJGDRYLLKUXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-6(13)4-7-5-8(15-2)11(16-3)9(12)10(7)14/h5-6,14H,4,13H2,1-3H3.
What are the key properties of 6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol?
6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol has a molecular weight of 245.71 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol is sourced from PubChem (CID 117366752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).