1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine

C14H11Cl3FN — CID 64713656

IUPAC1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1cccc(Cl)c1F
InChIInChI=1S/C14H11Cl3FN/c15-10-4-2-5-11(16)9(10)7-13(19)8-3-1-6-12(17)14(8)18/h1-6,13H,7,19H2
InChIKeyLUSFEQJLDZYRQJ-UHFFFAOYSA-N
MW318.61 g/mol
LogP5.03
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine

1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine (PubChem CID 64713656) has the molecular formula C14H11Cl3FN and a molecular weight of 318.61 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
PubChem CID64713656
Molecular FormulaC14H11Cl3FN
Molecular Weight318.61 g/mol
Exact Mass316.99
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1cccc(Cl)c1F
InChIInChI=1S/C14H11Cl3FN/c15-10-4-2-5-11(16)9(10)7-13(19)8-3-1-6-12(17)14(8)18/h1-6,13H,7,19H2
InChIKeyLUSFEQJLDZYRQJ-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.61
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 64713277
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 64712457
1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine
CID 65479346
(1S)-1-(3-chloro-2-fluorophenyl)-3-fluoropropan-1-amine
CID 131258362
1-(3-chloro-2-fluorophenyl)pentan-1-amine
CID 64713451
(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313800
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 64714150
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901
(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine
CID 171209299
(1S)-1-(3-chloro-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171228893
(1S)-1-(3-chloro-2-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171228917
1-(3-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 64713286

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine (CID 64713656) is 1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine is NC(Cc1c(Cl)cccc1Cl)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine?
The InChIKey is LUSFEQJLDZYRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FN/c15-10-4-2-5-11(16)9(10)7-13(19)8-3-1-6-12(17)14(8)18/h1-6,13H,7,19H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine?
1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine has a molecular weight of 318.61 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 64713656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).