4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine

C19H28F2N2 — CID 143117277

IUPAC4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine
SMILESC=C(CC(CC)C/N=C(\C)c1ccc(F)cc1F)N(C)CCC
InChIInChI=1S/C19H28F2N2/c1-6-10-23(5)14(3)11-16(7-2)13-22-15(4)18-9-8-17(20)12-19(18)21/h8-9,12,16H,3,6-7,10-11,13H2,1-2,4-5H3/b22-15+
InChIKeyRFIDFCONNRVOOP-PXLXIMEGSA-N
MW322.44 g/mol
LogP5.05
Rot. Bonds9

About 4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine

4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine (PubChem CID 143117277) has the molecular formula C19H28F2N2 and a molecular weight of 322.44 g/mol. Its IUPAC name is 4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine.

Molecular Properties

Compound Name4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine
PubChem CID143117277
Molecular FormulaC19H28F2N2
Molecular Weight322.44 g/mol
Exact Mass322.22
IUPAC Name4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine
SMILESC=C(CC(CC)C/N=C(\C)c1ccc(F)cc1F)N(C)CCC
InChIInChI=1S/C19H28F2N2/c1-6-10-23(5)14(3)11-16(7-2)13-22-15(4)18-9-8-17(20)12-19(18)21/h8-9,12,16H,3,6-7,10-11,13H2,1-2,4-5H3/b22-15+
InChIKeyRFIDFCONNRVOOP-PXLXIMEGSA-N
XLogP5.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726
N-butyl-1-(4-fluorophenyl)ethan-1-imine
CID 164888796
(NZ)-N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
CID 20521479
(NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
CID 21306888
1-(2,4-difluorophenyl)-N-hydroxy-1-(1-methylpiperidin-4-yl)methanimine
CID 73768878
(4-Fluorophenyl)(1-methyl-4-piperidinyl)methanone oxime
CID 86027923
1-Methyl-4-(2-fluorobenzoyl)piperidine oxime
CID 86739050
(NE)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
CID 87765489
5-[1-(4-fluorophenyl)ethylideneamino]-N,N,4-trimethylcyclohexa-1,5-dien-1-amine
CID 87918226
N-[(2,6-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
CID 88740214
(2,4-Difluorophenyl)-(1-methylpiperidin-4-yl)methanimine
CID 89080293
(2Z,4Z,6E,8E)-9-fluoro-1-(4-fluorophenyl)-N,6-dimethylundeca-2,4,6,8,10-pentaen-1-imine
CID 89378353

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine?
The IUPAC name of 4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine (CID 143117277) is 4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine.
What is the SMILES notation for 4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine?
The canonical SMILES for 4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine is C=C(CC(CC)C/N=C(\C)c1ccc(F)cc1F)N(C)CCC.
What is the InChIKey of 4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine?
The InChIKey is RFIDFCONNRVOOP-PXLXIMEGSA-N. The full InChI is InChI=1S/C19H28F2N2/c1-6-10-23(5)14(3)11-16(7-2)13-22-15(4)18-9-8-17(20)12-19(18)21/h8-9,12,16H,3,6-7,10-11,13H2,1-2,4-5H3/b22-15+.
What are the key properties of 4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine?
4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine has a molecular weight of 322.44 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,4-difluorophenyl)ethylideneamino]methyl]-N-methyl-N-propylhex-1-en-2-amine is sourced from PubChem (CID 143117277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).