4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline

C16H16ClF3N2 — CID 58007608

IUPAC4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline
SMILESCCc1cc(NCCc2ccc(C(F)(F)F)cn2)ccc1Cl
InChIInChI=1S/C16H16ClF3N2/c1-2-11-9-14(5-6-15(11)17)21-8-7-13-4-3-12(10-22-13)16(18,19)20/h3-6,9-10,21H,2,7-8H2,1H3
InChIKeyOMUQGUAPLSRSNS-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.97
Rot. Bonds5

About 4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline

4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline (PubChem CID 58007608) has the molecular formula C16H16ClF3N2 and a molecular weight of 328.77 g/mol. Its IUPAC name is 4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline.

Molecular Properties

Compound Name4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline
PubChem CID58007608
Molecular FormulaC16H16ClF3N2
Molecular Weight328.77 g/mol
Exact Mass328.10
IUPAC Name4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline
SMILESCCc1cc(NCCc2ccc(C(F)(F)F)cn2)ccc1Cl
InChIInChI=1S/C16H16ClF3N2/c1-2-11-9-14(5-6-15(11)17)21-8-7-13-4-3-12(10-22-13)16(18,19)20/h3-6,9-10,21H,2,7-8H2,1H3
InChIKeyOMUQGUAPLSRSNS-UHFFFAOYSA-N
XLogP4.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline?
The IUPAC name of 4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline (CID 58007608) is 4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline.
What is the SMILES notation for 4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline?
The canonical SMILES for 4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline is CCc1cc(NCCc2ccc(C(F)(F)F)cn2)ccc1Cl.
What is the InChIKey of 4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline?
The InChIKey is OMUQGUAPLSRSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2/c1-2-11-9-14(5-6-15(11)17)21-8-7-13-4-3-12(10-22-13)16(18,19)20/h3-6,9-10,21H,2,7-8H2,1H3.
What are the key properties of 4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline?
4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline has a molecular weight of 328.77 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]aniline is sourced from PubChem (CID 58007608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).