3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine

C19H20ClF2N3 — CID 123786233

IUPAC3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine
SMILESCC(/N=C/C=N/Cc1ccc(Cl)cc1)C(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H20ClF2N3/c1-13(19(23)10-15-8-17(21)11-18(22)9-15)25-7-6-24-12-14-2-4-16(20)5-3-14/h2-9,11,13,19H,10,12,23H2,1H3/b24-6+,25-7+
InChIKeyDPWNNOMUIGSBCA-JEBRHKJWSA-N
MW363.84 g/mol
LogP4.22
Rot. Bonds7

About 3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine

3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine (PubChem CID 123786233) has the molecular formula C19H20ClF2N3 and a molecular weight of 363.84 g/mol. Its IUPAC name is 3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine.

Molecular Properties

Compound Name3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine
PubChem CID123786233
Molecular FormulaC19H20ClF2N3
Molecular Weight363.84 g/mol
Exact Mass363.13
IUPAC Name3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine
SMILESCC(/N=C/C=N/Cc1ccc(Cl)cc1)C(N)Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H20ClF2N3/c1-13(19(23)10-15-8-17(21)11-18(22)9-15)25-7-6-24-12-14-2-4-16(20)5-3-14/h2-9,11,13,19H,10,12,23H2,1H3/b24-6+,25-7+
InChIKeyDPWNNOMUIGSBCA-JEBRHKJWSA-N
XLogP4.22
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine?
The IUPAC name of 3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine (CID 123786233) is 3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine.
What is the SMILES notation for 3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine?
The canonical SMILES for 3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine is CC(/N=C/C=N/Cc1ccc(Cl)cc1)C(N)Cc1cc(F)cc(F)c1.
What is the InChIKey of 3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine?
The InChIKey is DPWNNOMUIGSBCA-JEBRHKJWSA-N. The full InChI is InChI=1S/C19H20ClF2N3/c1-13(19(23)10-15-8-17(21)11-18(22)9-15)25-7-6-24-12-14-2-4-16(20)5-3-14/h2-9,11,13,19H,10,12,23H2,1H3/b24-6+,25-7+.
What are the key properties of 3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine?
3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine has a molecular weight of 363.84 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chlorophenyl)methylimino]ethylideneamino]-1-(3,5-difluorophenyl)butan-2-amine is sourced from PubChem (CID 123786233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).