4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline

C15H19NO — CID 144650490

IUPAC4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline
SMILESC=C/C=C(OC)\C(=C/C)c1ccc(N)cc1C
InChIInChI=1S/C15H19NO/c1-5-7-15(17-4)13(6-2)14-9-8-12(16)10-11(14)3/h5-10H,1,16H2,2-4H3/b13-6-,15-7+
InChIKeyYXXYERJHWOQUOE-WBOXRYOJSA-N
MW229.32 g/mol
LogP3.70
Rot. Bonds4

About 4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline

4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline (PubChem CID 144650490) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline.

Molecular Properties

Compound Name4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline
PubChem CID144650490
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline
SMILESC=C/C=C(OC)\C(=C/C)c1ccc(N)cc1C
InChIInChI=1S/C15H19NO/c1-5-7-15(17-4)13(6-2)14-9-8-12(16)10-11(14)3/h5-10H,1,16H2,2-4H3/b13-6-,15-7+
InChIKeyYXXYERJHWOQUOE-WBOXRYOJSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline 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

methyl 4-amino-2-(2-methoxy-2-oxoethyl)benzoate
CID 12616213
ethane;(1E)-1-(4-methoxy-2-methylphenyl)buta-1,3-dien-1-ol
CID 142019265
1-methyl-2-[(2E,4Z)-4-methylhepta-2,4,6-trien-3-yl]benzene
CID 144990301
carbamoyl 4-amino-2-methylbenzoate
CID 88539769
3-methyl-4-[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]aniline
CID 142037585
4-[(Z)-2-amino-1-methoxyethenyl]-3-methoxyaniline
CID 142018135
2,4-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]benzene
CID 168947702
(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
CID 163468215
1-(4-amino-2-methoxyphenyl)ethenol
CID 89240422
4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270
4-amino-2-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425113
2-methylbenzene-1,4-diamine;sulfane
CID 174900310

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline?
The IUPAC name of 4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline (CID 144650490) is 4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline.
What is the SMILES notation for 4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline?
The canonical SMILES for 4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline is C=C/C=C(OC)\C(=C/C)c1ccc(N)cc1C.
What is the InChIKey of 4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline?
The InChIKey is YXXYERJHWOQUOE-WBOXRYOJSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-7-15(17-4)13(6-2)14-9-8-12(16)10-11(14)3/h5-10H,1,16H2,2-4H3/b13-6-,15-7+.
What are the key properties of 4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline?
4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline has a molecular weight of 229.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4E)-4-methoxyhepta-2,4,6-trien-3-yl]-3-methylaniline is sourced from PubChem (CID 144650490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).