(3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane

C16H23F3N2O — CID 176922237

IUPAC(3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane
SMILESC=C(N)/C=C(/C)N(C)c1ccc(OC(F)(F)F)cc1.CCC
InChIInChI=1S/C13H15F3N2O.C3H8/c1-9(17)8-10(2)18(3)11-4-6-12(7-5-11)19-13(14,15)16;1-3-2/h4-8H,1,17H2,2-3H3;3H2,1-2H3/b10-8-;
InChIKeyIFYRTRSRGSTNJU-DQMXGCRQSA-N
MW316.37 g/mol
LogP4.81
Rot. Bonds4

About (3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane

(3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane (PubChem CID 176922237) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is (3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane.

Molecular Properties

Compound Name(3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane
PubChem CID176922237
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name(3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane
SMILESC=C(N)/C=C(/C)N(C)c1ccc(OC(F)(F)F)cc1.CCC
InChIInChI=1S/C13H15F3N2O.C3H8/c1-9(17)8-10(2)18(3)11-4-6-12(7-5-11)19-13(14,15)16;1-3-2/h4-8H,1,17H2,2-3H3;3H2,1-2H3/b10-8-;
InChIKeyIFYRTRSRGSTNJU-DQMXGCRQSA-N
XLogP4.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2Z)-4,5-dimethylhexa-2,4-dien-2-yl]-N-methyl-4-(trifluoromethoxy)aniline
CID 145347468
N-[(2Z,4Z)-4-bromo-5-methylhepta-2,4-dien-2-yl]-N-methyl-4-(trifluoromethoxy)aniline;ethane
CID 176921158
N-[(2Z,4Z)-4-bromo-5-methylhepta-2,4-dien-2-yl]-4-(1,1-difluoroethoxy)-N-methylaniline
CID 176922160
acetylene;7-methylnonan-4-one;N-methyl-N-[(Z)-pent-2-en-2-yl]-4-(trifluoromethoxy)aniline;propane
CID 176922110
N-[(2Z,4E)-4,5-dimethylhepta-2,4-dien-2-yl]-N-methyl-4-(trifluoromethoxy)aniline;ethane;2-(3-methylpentyl)-2-propyl-1,3-dioxolane
CID 176922107
2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine
CID 176921449
N-methyl-N-[(2Z,4Z)-4-methylhepta-2,4-dien-2-yl]-4-(2,2,2-trifluoroethyl)aniline
CID 176921198
3-[ethenylsulfonyl(methyl)amino]-N-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 170102245
[amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea
CID 57270178
2-methyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 105005386
N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
CID 145273685
1-(2,3-dimethylbut-3-en-2-yl)-4-(trifluoromethoxy)benzene
CID 70222036

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane?
The IUPAC name of (3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane (CID 176922237) is (3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane.
What is the SMILES notation for (3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane?
The canonical SMILES for (3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane is C=C(N)/C=C(/C)N(C)c1ccc(OC(F)(F)F)cc1.CCC.
What is the InChIKey of (3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane?
The InChIKey is IFYRTRSRGSTNJU-DQMXGCRQSA-N. The full InChI is InChI=1S/C13H15F3N2O.C3H8/c1-9(17)8-10(2)18(3)11-4-6-12(7-5-11)19-13(14,15)16;1-3-2/h4-8H,1,17H2,2-3H3;3H2,1-2H3/b10-8-;.
What are the key properties of (3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane?
(3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane has a molecular weight of 316.37 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane is sourced from PubChem (CID 176922237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).