4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine

C24H28F2N4 — CID 160567026

IUPAC4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine
SMILESCC(C)c1cccc(C(CNCC(F)(F)c2ccccc2)c2cc(N)nc(N)c2)c1
InChIInChI=1S/C24H28F2N4/c1-16(2)17-7-6-8-18(11-17)21(19-12-22(27)30-23(28)13-19)14-29-15-24(25,26)20-9-4-3-5-10-20/h3-13,16,21,29H,14-15H2,1-2H3,(H4,27,28,30)
InChIKeyRABBTSUWZIXEFE-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.88
Rot. Bonds8

About 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine

4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine (PubChem CID 160567026) has the molecular formula C24H28F2N4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine
PubChem CID160567026
Molecular FormulaC24H28F2N4
Molecular Weight410.51 g/mol
Exact Mass410.23
IUPAC Name4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine
SMILESCC(C)c1cccc(C(CNCC(F)(F)c2ccccc2)c2cc(N)nc(N)c2)c1
InChIInChI=1S/C24H28F2N4/c1-16(2)17-7-6-8-18(11-17)21(19-12-22(27)30-23(28)13-19)14-29-15-24(25,26)20-9-4-3-5-10-20/h3-13,16,21,29H,14-15H2,1-2H3,(H4,27,28,30)
InChIKeyRABBTSUWZIXEFE-UHFFFAOYSA-N
XLogP4.88
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine with MolForge

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Related Compounds

N-[2-(2,6-diamino-4-pyridinyl)-2-phenylethyl]-2,2-difluoro-2-phenylacetamide
CID 130431732
2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 116788992
N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine
CID 116789342
N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 83108347
2-chloro-N-(2,2-difluoro-2-phenylethyl)butan-1-amine
CID 116790612
N-[(1S)-1-(3-bromophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 104893366
3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol
CID 116789164
2-chloro-N-(2,2-difluoro-2-phenylethyl)-3-ethylpentan-1-amine
CID 106286047
N-ethyl-2,2-difluoro-2-(4-propan-2-ylphenyl)ethanamine
CID 83108104
N-(2,2-difluoro-2-phenylethyl)-2-ethylhexan-1-amine
CID 107820052
(2,2-difluoro-2-phenylethyl)hydrazine
CID 116788671
1-(2-methyl-2-phenylpropyl)-3-propan-2-ylbenzene
CID 145484957

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine?
The IUPAC name of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine (CID 160567026) is 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine is CC(C)c1cccc(C(CNCC(F)(F)c2ccccc2)c2cc(N)nc(N)c2)c1.
What is the InChIKey of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine?
The InChIKey is RABBTSUWZIXEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4/c1-16(2)17-7-6-8-18(11-17)21(19-12-22(27)30-23(28)13-19)14-29-15-24(25,26)20-9-4-3-5-10-20/h3-13,16,21,29H,14-15H2,1-2H3,(H4,27,28,30).
What are the key properties of 4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine?
4-[2-[(2,2-difluoro-2-phenylethyl)amino]-1-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine has a molecular weight of 410.51 g/mol, XLogP of 4.88, 8 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-(3-propan-2-ylphenyl)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 160567026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).