4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane

C23H28F2N4 — CID 145371777

IUPAC4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane
SMILESCC.Nc1cc(C(CNCC(F)(F)c2ccccc2)c2ccccc2)cc(N)n1
InChIInChI=1S/C21H22F2N4.C2H6/c22-21(23,17-9-5-2-6-10-17)14-26-13-18(15-7-3-1-4-8-15)16-11-19(24)27-20(25)12-16;1-2/h1-12,18,26H,13-14H2,(H4,24,25,27);1-2H3
InChIKeyBVCVIAMSNGZEJX-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.79
Rot. Bonds7

About 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane

4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane (PubChem CID 145371777) has the molecular formula C23H28F2N4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane.

Molecular Properties

Compound Name4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane
PubChem CID145371777
Molecular FormulaC23H28F2N4
Molecular Weight398.50 g/mol
Exact Mass398.23
IUPAC Name4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane
SMILESCC.Nc1cc(C(CNCC(F)(F)c2ccccc2)c2ccccc2)cc(N)n1
InChIInChI=1S/C21H22F2N4.C2H6/c22-21(23,17-9-5-2-6-10-17)14-26-13-18(15-7-3-1-4-8-15)16-11-19(24)27-20(25)12-16;1-2/h1-12,18,26H,13-14H2,(H4,24,25,27);1-2H3
InChIKeyBVCVIAMSNGZEJX-UHFFFAOYSA-N
XLogP4.79
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane?
The IUPAC name of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane (CID 145371777) is 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane.
What is the SMILES notation for 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane?
The canonical SMILES for 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane is CC.Nc1cc(C(CNCC(F)(F)c2ccccc2)c2ccccc2)cc(N)n1.
What is the InChIKey of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane?
The InChIKey is BVCVIAMSNGZEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4.C2H6/c22-21(23,17-9-5-2-6-10-17)14-26-13-18(15-7-3-1-4-8-15)16-11-19(24)27-20(25)12-16;1-2/h1-12,18,26H,13-14H2,(H4,24,25,27);1-2H3.
What are the key properties of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane?
4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane has a molecular weight of 398.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-phenylethyl]pyridine-2,6-diamine;ethane is sourced from PubChem (CID 145371777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).