3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine

C17H19ClFNO2 — CID 82139834

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

About 3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine

3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine (PubChem CID 82139834) has the molecular formula C17H19ClFNO2 and a molecular weight of 323.80 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
PubChem CID82139834
Molecular FormulaC17H19ClFNO2
Molecular Weight323.80 g/mol
Exact Mass323.11
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(OC)c(C(CN)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C17H19ClFNO2/c1-21-12-6-7-17(22-2)13(9-12)11(10-20)8-14-15(18)4-3-5-16(14)19/h3-7,9,11H,8,10,20H2,1-2H3
InChIKeyGZIDBPGRSRVMMA-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-(3,4-dimethoxyphenyl)propan-1-amine
CID 82139829
3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974179
1-chloro-2-[2-chloro-2-(2-fluoro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63434219
2-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-1-amine
CID 79448638
2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 82141160
2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83975308
3-(2,3-dichlorophenyl)-2-(2,4-dimethoxyphenyl)propan-1-amine
CID 83973145
3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977027
2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine
CID 112509189
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422
2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 112508412
1-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377522

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine (CID 82139834) is 3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine is COc1ccc(OC)c(C(CN)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine?
The InChIKey is GZIDBPGRSRVMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO2/c1-21-12-6-7-17(22-2)13(9-12)11(10-20)8-14-15(18)4-3-5-16(14)19/h3-7,9,11H,8,10,20H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine?
3-(2-chloro-6-fluorophenyl)-2-(2,5-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-(2,5-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 82139834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).