1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine

C14H12Cl2FN — CID 43344680

IUPAC1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2FN/c15-10-4-5-13(16)12(8-10)14(18)7-9-2-1-3-11(17)6-9/h1-6,8,14H,7,18H2
InChIKeySHODQQGEVDUINT-UHFFFAOYSA-N
MW284.16 g/mol
LogP4.38
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine

1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine (PubChem CID 43344680) has the molecular formula C14H12Cl2FN and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
PubChem CID43344680
Molecular FormulaC14H12Cl2FN
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2FN/c15-10-4-5-13(16)12(8-10)14(18)7-9-2-1-3-11(17)6-9/h1-6,8,14H,7,18H2
InChIKeySHODQQGEVDUINT-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 62505457
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 61079265
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
2-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-1-fluorobenzene
CID 63543856
1-(2,5-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 43492963
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 64712457
1-(4-chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55188144
1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine
CID 107475984
2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 115842871

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine (CID 43344680) is 1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine is NC(Cc1cccc(F)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is SHODQQGEVDUINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FN/c15-10-4-5-13(16)12(8-10)14(18)7-9-2-1-3-11(17)6-9/h1-6,8,14H,7,18H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine?
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine has a molecular weight of 284.16 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 43344680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).