2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline

C19H23Cl2FN2 — CID 160816080

IUPAC2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline
SMILESCCN(CCCc1ccc(F)cc1)CCc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C19H23Cl2FN2/c1-2-24(10-3-4-14-5-7-16(22)8-6-14)11-9-15-12-17(20)19(23)18(21)13-15/h5-8,12-13H,2-4,9-11,23H2,1H3
InChIKeySEXOWEBNEPYPJW-UHFFFAOYSA-N
MW369.31 g/mol
LogP5.21
Rot. Bonds8

About 2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline

2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline (PubChem CID 160816080) has the molecular formula C19H23Cl2FN2 and a molecular weight of 369.31 g/mol. Its IUPAC name is 2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline
PubChem CID160816080
Molecular FormulaC19H23Cl2FN2
Molecular Weight369.31 g/mol
Exact Mass368.12
IUPAC Name2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline
SMILESCCN(CCCc1ccc(F)cc1)CCc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C19H23Cl2FN2/c1-2-24(10-3-4-14-5-7-16(22)8-6-14)11-9-15-12-17(20)19(23)18(21)13-15/h5-8,12-13H,2-4,9-11,23H2,1H3
InChIKeySEXOWEBNEPYPJW-UHFFFAOYSA-N
XLogP5.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.31
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline?
The IUPAC name of 2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline (CID 160816080) is 2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline?
The canonical SMILES for 2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline is CCN(CCCc1ccc(F)cc1)CCc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline?
The InChIKey is SEXOWEBNEPYPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2FN2/c1-2-24(10-3-4-14-5-7-16(22)8-6-14)11-9-15-12-17(20)19(23)18(21)13-15/h5-8,12-13H,2-4,9-11,23H2,1H3.
What are the key properties of 2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline?
2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline has a molecular weight of 369.31 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[2-[ethyl-[3-(4-fluorophenyl)propyl]amino]ethyl]aniline is sourced from PubChem (CID 160816080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).