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

C17H19ClFNO2 — CID 82139829

IUPAC3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2c(F)cccc2Cl)cc1OC
InChIInChI=1S/C17H19ClFNO2/c1-21-16-7-6-11(9-17(16)22-2)12(10-20)8-13-14(18)4-3-5-15(13)19/h3-7,9,12H,8,10,20H2,1-2H3
InChIKeyATWRKYOBOFOASY-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.78
Rot. Bonds6

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

3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine (PubChem CID 82139829) has the molecular formula C17H19ClFNO2 and a molecular weight of 323.80 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine
PubChem CID82139829
Molecular FormulaC17H19ClFNO2
Molecular Weight323.80 g/mol
Exact Mass323.11
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2c(F)cccc2Cl)cc1OC
InChIInChI=1S/C17H19ClFNO2/c1-21-16-7-6-11(9-17(16)22-2)12(10-20)8-13-14(18)4-3-5-15(13)19/h3-7,9,12H,8,10,20H2,1-2H3
InChIKeyATWRKYOBOFOASY-UHFFFAOYSA-N
XLogP3.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
CID 82139834
3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977027
2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 62606810
1-chloro-2-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63429035
[2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 105258266
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
[(2-chloro-6-fluorophenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105301084
2-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973647
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86263927
(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 95441222
1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63022137

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine (CID 82139829) is 3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine is COc1ccc(C(CN)Cc2c(F)cccc2Cl)cc1OC.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine?
The InChIKey is ATWRKYOBOFOASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO2/c1-21-16-7-6-11(9-17(16)22-2)12(10-20)8-13-14(18)4-3-5-15(13)19/h3-7,9,12H,8,10,20H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine?
3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine has a molecular weight of 323.80 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 82139829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).