3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine

C11H16ClNO2 — CID 84793335

IUPAC3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(OC)c(CCCN)c1Cl
InChIInChI=1S/C11H16ClNO2/c1-14-9-5-6-10(15-2)11(12)8(9)4-3-7-13/h5-6H,3-4,7,13H2,1-2H3
InChIKeyZVBMADGYIAKFGM-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.25
Rot. Bonds5

About 3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine

3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine (PubChem CID 84793335) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
PubChem CID84793335
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(OC)c(CCCN)c1Cl
InChIInChI=1S/C11H16ClNO2/c1-14-9-5-6-10(15-2)11(12)8(9)4-3-7-13/h5-6H,3-4,7,13H2,1-2H3
InChIKeyZVBMADGYIAKFGM-UHFFFAOYSA-N
XLogP2.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594
3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84797782
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
(2-chloro-6-methoxy-3-methylphenyl)methanamine
CID 84769899
3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol
CID 117305992
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
3-(2-chloro-4,6-dimethoxyphenyl)propan-1-amine
CID 117331589
3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
CID 10390646
2-chloro-3-(chloromethyl)-1-methoxy-4-methylbenzene
CID 171008417
2-(3-aminopropyl)-3-iodo-6-methoxyphenol
CID 170867530
3-(5-chloro-2,3-dimethoxy-6-methylphenyl)propan-1-amine
CID 117361452
3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
CID 84774719

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine (CID 84793335) is 3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine is COc1ccc(OC)c(CCCN)c1Cl.
What is the InChIKey of 3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine?
The InChIKey is ZVBMADGYIAKFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-14-9-5-6-10(15-2)11(12)8(9)4-3-7-13/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of 3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine?
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine has a molecular weight of 229.71 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 84793335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).