6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol

C10H14ClNO2 — CID 117307369

IUPAC6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol
SMILESCOc1c(Cl)ccc(C(C)CN)c1O
InChIInChI=1S/C10H14ClNO2/c1-6(5-12)7-3-4-8(11)10(14-2)9(7)13/h3-4,6,13H,5,12H2,1-2H3
InChIKeyOHDMKNOLCLSKJX-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.12
Rot. Bonds3

About 6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol

6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol (PubChem CID 117307369) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol.

Molecular Properties

Compound Name6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol
PubChem CID117307369
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol
SMILESCOc1c(Cl)ccc(C(C)CN)c1O
InChIInChI=1S/C10H14ClNO2/c1-6(5-12)7-3-4-8(11)10(14-2)9(7)13/h3-4,6,13H,5,12H2,1-2H3
InChIKeyOHDMKNOLCLSKJX-UHFFFAOYSA-N
XLogP2.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117308708
3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
CID 117310235
5-(1-aminopropan-2-yl)-4-chloro-2-methoxyphenol
CID 105426015
3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
CID 117288592
4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol
CID 117278779
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
2-(3-methoxy-4-methyl-2-propan-2-ylphenyl)propan-1-amine
CID 117317005
6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol
CID 84680912
4-chloro-3-methoxybenzene-1,2-diol
CID 21449636
6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279608
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol?
The IUPAC name of 6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol (CID 117307369) is 6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol.
What is the SMILES notation for 6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol?
The canonical SMILES for 6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol is COc1c(Cl)ccc(C(C)CN)c1O.
What is the InChIKey of 6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol?
The InChIKey is OHDMKNOLCLSKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-6(5-12)7-3-4-8(11)10(14-2)9(7)13/h3-4,6,13H,5,12H2,1-2H3.
What are the key properties of 6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol?
6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol has a molecular weight of 215.68 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol is sourced from PubChem (CID 117307369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).