1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine

C14H11Cl2F2N — CID 82773222

IUPAC1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine
SMILESNC(Cc1ccccc1Cl)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H11Cl2F2N/c15-10-4-2-1-3-8(10)5-14(19)9-6-13(18)11(16)7-12(9)17/h1-4,6-7,14H,5,19H2
InChIKeyZVWLSZAYRBIJCV-UHFFFAOYSA-N
MW302.15 g/mol
LogP4.51
Rot. Bonds3

About 1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine

1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine (PubChem CID 82773222) has the molecular formula C14H11Cl2F2N and a molecular weight of 302.15 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine
PubChem CID82773222
Molecular FormulaC14H11Cl2F2N
Molecular Weight302.15 g/mol
Exact Mass301.02
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine
SMILESNC(Cc1ccccc1Cl)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H11Cl2F2N/c15-10-4-2-1-3-8(10)5-14(19)9-6-13(18)11(16)7-12(9)17/h1-4,6-7,14H,5,19H2
InChIKeyZVWLSZAYRBIJCV-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 105394821
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107892584
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038
1-(4-chloro-2,5-difluorophenyl)-2-(4-methylphenyl)ethanamine
CID 82772910
2-(2-chlorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107513256
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921
1-(3-chloro-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 64713277
2-(2,4-dichlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 62502807

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine (CID 82773222) is 1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine is NC(Cc1ccccc1Cl)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine?
The InChIKey is ZVWLSZAYRBIJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2N/c15-10-4-2-1-3-8(10)5-14(19)9-6-13(18)11(16)7-12(9)17/h1-4,6-7,14H,5,19H2.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine?
1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine has a molecular weight of 302.15 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 82773222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).