2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine

C16H17ClFNO2 — CID 102867085

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)Cc2cccc(Cl)c2F)c1OC
InChIInChI=1S/C16H17ClFNO2/c1-20-14-8-4-6-11(16(14)21-2)13(19)9-10-5-3-7-12(17)15(10)18/h3-8,13H,9,19H2,1-2H3
InChIKeyQDXRSSZVIVIHSA-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.74
Rot. Bonds5

About 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine (PubChem CID 102867085) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
PubChem CID102867085
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)Cc2cccc(Cl)c2F)c1OC
InChIInChI=1S/C16H17ClFNO2/c1-20-14-8-4-6-11(16(14)21-2)13(19)9-10-5-3-7-12(17)15(10)18/h3-8,13H,9,19H2,1-2H3
InChIKeyQDXRSSZVIVIHSA-UHFFFAOYSA-N
XLogP3.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 102857818
1-(3-chloro-2-pyridinyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103443769
2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 105137154
2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine
CID 82787833
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
1-(2-ethylphenyl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035625
2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine
CID 82806691
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866744
1-(2,3-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105174573
1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 112693542

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine (CID 102867085) is 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine is COc1cccc(C(N)Cc2cccc(Cl)c2F)c1OC.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine?
The InChIKey is QDXRSSZVIVIHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-20-14-8-4-6-11(16(14)21-2)13(19)9-10-5-3-7-12(17)15(10)18/h3-8,13H,9,19H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine has a molecular weight of 309.77 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 102867085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).