2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine

C19H28F4N2 — CID 123166301

IUPAC2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine
SMILESC/C(=N\C(C)(C)c1cc(C(C)(F)F)cc(C(C)(F)F)c1)C(N)C(C)C
InChIInChI=1S/C19H28F4N2/c1-11(2)16(24)12(3)25-17(4,5)13-8-14(18(6,20)21)10-15(9-13)19(7,22)23/h8-11,16H,24H2,1-7H3/b25-12+
InChIKeyPHYDGENYEIQNPF-BRJLIKDPSA-N
MW360.44 g/mol
LogP5.59
Rot. Bonds6

About 2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine

2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine (PubChem CID 123166301) has the molecular formula C19H28F4N2 and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine.

Molecular Properties

Compound Name2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine
PubChem CID123166301
Molecular FormulaC19H28F4N2
Molecular Weight360.44 g/mol
Exact Mass360.22
IUPAC Name2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine
SMILESC/C(=N\C(C)(C)c1cc(C(C)(F)F)cc(C(C)(F)F)c1)C(N)C(C)C
InChIInChI=1S/C19H28F4N2/c1-11(2)16(24)12(3)25-17(4,5)13-8-14(18(6,20)21)10-15(9-13)19(7,22)23/h8-11,16H,24H2,1-7H3/b25-12+
InChIKeyPHYDGENYEIQNPF-BRJLIKDPSA-N
XLogP5.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine?
The IUPAC name of 2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine (CID 123166301) is 2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine.
What is the SMILES notation for 2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine?
The canonical SMILES for 2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine is C/C(=N\C(C)(C)c1cc(C(C)(F)F)cc(C(C)(F)F)c1)C(N)C(C)C.
What is the InChIKey of 2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine?
The InChIKey is PHYDGENYEIQNPF-BRJLIKDPSA-N. The full InChI is InChI=1S/C19H28F4N2/c1-11(2)16(24)12(3)25-17(4,5)13-8-14(18(6,20)21)10-15(9-13)19(7,22)23/h8-11,16H,24H2,1-7H3/b25-12+.
What are the key properties of 2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine?
2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine has a molecular weight of 360.44 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis(1,1-difluoroethyl)phenyl]propan-2-ylimino]-4-methylpentan-3-amine is sourced from PubChem (CID 123166301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).