2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine

C12H18ClNO3 — CID 117403628

IUPAC2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(OC)c(C(C)CN)c(Cl)c1OC
InChIInChI=1S/C12H18ClNO3/c1-7(6-14)10-8(15-2)5-9(16-3)12(17-4)11(10)13/h5,7H,6,14H2,1-4H3
InChIKeyFCYWUIQCWJQAQA-UHFFFAOYSA-N
MW259.73 g/mol
LogP2.43
Rot. Bonds5

About 2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine

2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine (PubChem CID 117403628) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is 2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine
PubChem CID117403628
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Name2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine
SMILESCOc1cc(OC)c(C(C)CN)c(Cl)c1OC
InChIInChI=1S/C12H18ClNO3/c1-7(6-14)10-8(15-2)5-9(16-3)12(17-4)11(10)13/h5,7H,6,14H2,1-4H3
InChIKeyFCYWUIQCWJQAQA-UHFFFAOYSA-N
XLogP2.43
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminopropan-2-yl)-3-chloro-4,5-dimethoxyphenol
CID 117366706
2-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)propan-1-amine
CID 117398117
2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine
CID 83887883
3-amino-3-(2-chloro-3,4,6-trimethoxyphenyl)propanoic acid
CID 117467974
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864
2-(6-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-amine
CID 117465253
1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117432479
2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid
CID 117443259
1-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)-2-methylpropan-2-amine
CID 117460468
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
CID 117299386
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
CID 117468539

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine (CID 117403628) is 2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine is COc1cc(OC)c(C(C)CN)c(Cl)c1OC.
What is the InChIKey of 2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine?
The InChIKey is FCYWUIQCWJQAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3/c1-7(6-14)10-8(15-2)5-9(16-3)12(17-4)11(10)13/h5,7H,6,14H2,1-4H3.
What are the key properties of 2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine?
2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine has a molecular weight of 259.73 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,4,6-trimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 117403628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).