N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine

C19H23F2NO — CID 130439660

IUPACN-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine
SMILESC=C/C=C\C=C/N(OCc1c(F)cccc1F)C(CC)=C(C)C
InChIInChI=1S/C19H23F2NO/c1-5-7-8-9-13-22(19(6-2)15(3)4)23-14-16-17(20)11-10-12-18(16)21/h5,7-13H,1,6,14H2,2-4H3/b8-7-,13-9-
InChIKeyLGSLDUBCOPMEPK-VBKTUFRMSA-N
MW319.40 g/mol
LogP5.66
Rot. Bonds8

About N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine

N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine (PubChem CID 130439660) has the molecular formula C19H23F2NO and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine
PubChem CID130439660
Molecular FormulaC19H23F2NO
Molecular Weight319.40 g/mol
Exact Mass319.17
IUPAC NameN-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine
SMILESC=C/C=C\C=C/N(OCc1c(F)cccc1F)C(CC)=C(C)C
InChIInChI=1S/C19H23F2NO/c1-5-7-8-9-13-22(19(6-2)15(3)4)23-14-16-17(20)11-10-12-18(16)21/h5,7-13H,1,6,14H2,2-4H3/b8-7-,13-9-
InChIKeyLGSLDUBCOPMEPK-VBKTUFRMSA-N
XLogP5.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine (CID 130439660) is N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine is C=C/C=C\C=C/N(OCc1c(F)cccc1F)C(CC)=C(C)C.
What is the InChIKey of N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine?
The InChIKey is LGSLDUBCOPMEPK-VBKTUFRMSA-N. The full InChI is InChI=1S/C19H23F2NO/c1-5-7-8-9-13-22(19(6-2)15(3)4)23-14-16-17(20)11-10-12-18(16)21/h5,7-13H,1,6,14H2,2-4H3/b8-7-,13-9-.
What are the key properties of N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine?
N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine has a molecular weight of 319.40 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methoxy]-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-2-methylpent-2-en-3-amine is sourced from PubChem (CID 130439660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).