(1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine

C14H15Cl2NO2 — CID 121405286

IUPAC(1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine
SMILESC=C(Cl)/C(Cl)=C\C(=C/N)OCc1ccc(OC)cc1
InChIInChI=1S/C14H15Cl2NO2/c1-10(15)14(16)7-13(8-17)19-9-11-3-5-12(18-2)6-4-11/h3-8H,1,9,17H2,2H3/b13-8+,14-7+
InChIKeyCXFHWFDXZKOGGI-CCLLZULESA-N
MW300.19 g/mol
LogP3.89
Rot. Bonds6

About (1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine

(1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine (PubChem CID 121405286) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is (1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine
PubChem CID121405286
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name(1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine
SMILESC=C(Cl)/C(Cl)=C\C(=C/N)OCc1ccc(OC)cc1
InChIInChI=1S/C14H15Cl2NO2/c1-10(15)14(16)7-13(8-17)19-9-11-3-5-12(18-2)6-4-11/h3-8H,1,9,17H2,2H3/b13-8+,14-7+
InChIKeyCXFHWFDXZKOGGI-CCLLZULESA-N
XLogP3.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine 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

1-methoxy-4-[[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]oxymethyl]benzene
CID 143140381
1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene
CID 135080500
1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
CID 10798623
1-[[(E)-but-2-en-2-yl]oxymethyl]-4-methoxybenzene
CID 145479406
[4-[(4-methoxyphenyl)diazenyl]phenyl]methyl carbonochloridate
CID 87506222
(1E,3E)-1-chloro-3-[(2,3-dimethylquinoxalin-6-yl)methoxy]buta-1,3-diene-1,4-diamine
CID 171090246
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl silylformate
CID 123289214
diaminomethylidene-[(4-methoxyphenyl)methoxy]azanium
CID 3601249
4-[(4-methoxyphenyl)methoxy]-3-methyl-4-oxobut-2-enoic acid
CID 71347952
tert-butyl 2-[(4-methoxyphenyl)methoxy]prop-2-enoate
CID 11380047
4-O-[(4-methoxyphenyl)methyl] 1-O-(2,2,2-trichloroethyl) 2-methylidenebutanedioate
CID 163274266

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine (CID 121405286) is (1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine is C=C(Cl)/C(Cl)=C\C(=C/N)OCc1ccc(OC)cc1.
What is the InChIKey of (1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine?
The InChIKey is CXFHWFDXZKOGGI-CCLLZULESA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-10(15)14(16)7-13(8-17)19-9-11-3-5-12(18-2)6-4-11/h3-8H,1,9,17H2,2H3/b13-8+,14-7+.
What are the key properties of (1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine?
(1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine has a molecular weight of 300.19 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4,5-dichloro-2-[(4-methoxyphenyl)methoxy]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 121405286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).