1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine

C15H14Cl2FN — CID 61063993

IUPAC1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-19-14(9-10-4-2-5-11(18)8-10)15-12(16)6-3-7-13(15)17/h2-8,14,19H,9H2,1H3
InChIKeyDLNNFUDQRNGNJD-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.64
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine

1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine (PubChem CID 61063993) has the molecular formula C15H14Cl2FN and a molecular weight of 298.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine
PubChem CID61063993
Molecular FormulaC15H14Cl2FN
Molecular Weight298.19 g/mol
Exact Mass297.05
IUPAC Name1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(F)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2FN/c1-19-14(9-10-4-2-5-11(18)8-10)15-12(16)6-3-7-13(15)17/h2-8,14,19H,9H2,1H3
InChIKeyDLNNFUDQRNGNJD-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286398
1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 106877909
N-[1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63528797
1-(3-chloro-4-iodophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 103214634
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 80531073
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 61079265
1-(2,6-dichlorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864205
1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63417255
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 114648285
1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406219
1-(3,4-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43480184
1-(3-fluoro-4-methylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 60818353

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine (CID 61063993) is 1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(F)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is DLNNFUDQRNGNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN/c1-19-14(9-10-4-2-5-11(18)8-10)15-12(16)6-3-7-13(15)17/h2-8,14,19H,9H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine?
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 298.19 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 61063993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).