2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol

C11H16ClNO3 — CID 117366706

IUPAC2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(C(C)CN)c(Cl)c1OC
InChIInChI=1S/C11H16ClNO3/c1-6(5-13)9-7(14)4-8(15-2)11(16-3)10(9)12/h4,6,14H,5,13H2,1-3H3
InChIKeyZVDTWESFCLLOCF-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.12
Rot. Bonds4

About 2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol

2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol (PubChem CID 117366706) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol
PubChem CID117366706
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(C(C)CN)c(Cl)c1OC
InChIInChI=1S/C11H16ClNO3/c1-6(5-13)9-7(14)4-8(15-2)11(16-3)10(9)12/h4,6,14H,5,13H2,1-3H3
InChIKeyZVDTWESFCLLOCF-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine
CID 117403628
3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
CID 117372422
2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine
CID 117398117
4-amino-4-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)butanoic acid
CID 117467969
2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
CID 117468539
2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol
CID 117288596
5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
CID 105426015
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
CID 117465253
2-(1-aminoethyl)-3-bromo-4,5-dimethoxyphenol
CID 84714360
1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117432479
6-(2-aminopropyl)-2-chloro-3,4-dimethoxyphenol
CID 117366752
2-(1-aminopropan-2-yl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117339631

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol?
The IUPAC name of 2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol (CID 117366706) is 2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol is COc1cc(O)c(C(C)CN)c(Cl)c1OC.
What is the InChIKey of 2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol?
The InChIKey is ZVDTWESFCLLOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-6(5-13)9-7(14)4-8(15-2)11(16-3)10(9)12/h4,6,14H,5,13H2,1-3H3.
What are the key properties of 2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol?
2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol has a molecular weight of 245.71 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol is sourced from PubChem (CID 117366706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).