3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline

C12H13Cl2N — CID 163770557

IUPAC3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline
SMILESC/C=C\C(=C/C)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H13Cl2N/c1-3-5-8(4-2)12-10(13)6-9(15)7-11(12)14/h3-7H,15H2,1-2H3/b5-3-,8-4+
InChIKeyMGAUSPXEZNQHEZ-VOGDQUTBSA-N
MW242.15 g/mol
LogP4.55
Rot. Bonds2

About 3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline

3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline (PubChem CID 163770557) has the molecular formula C12H13Cl2N and a molecular weight of 242.15 g/mol. Its IUPAC name is 3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline.

Molecular Properties

Compound Name3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline
PubChem CID163770557
Molecular FormulaC12H13Cl2N
Molecular Weight242.15 g/mol
Exact Mass241.04
IUPAC Name3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline
SMILESC/C=C\C(=C/C)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H13Cl2N/c1-3-5-8(4-2)12-10(13)6-9(15)7-11(12)14/h3-7H,15H2,1-2H3/b5-3-,8-4+
InChIKeyMGAUSPXEZNQHEZ-VOGDQUTBSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]benzene-1,3-diamine
CID 142094947
1-(4-amino-2,6-dichlorophenyl)-2-bromoethanone
CID 171014015
4-amino-2-chloro-6-ethylphenol
CID 91674507
3-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,5-dimethylaniline
CID 144540020
2-acetyl-5-amino-3-chlorobenzonitrile
CID 171018416
5-amino-2,3-dichlorophenol
CID 58116859
1-(4-amino-2-chloro-6-nitrophenyl)ethanone
CID 131333468
4-amino-2,6-dichlorophenol;urea
CID 154637850
6-chlorobenzene-1,2,4-triamine
CID 21330853
3,5-dichloro-4-(1-oxobut-2-en-2-yl)benzoic acid;oxirane
CID 175140517
1-[4-amino-2-chloro-6-(difluoromethoxy)phenyl]ethanone
CID 131333497
1-(4-amino-2-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011675

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline?
The IUPAC name of 3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline (CID 163770557) is 3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline.
What is the SMILES notation for 3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline?
The canonical SMILES for 3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline is C/C=C\C(=C/C)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline?
The InChIKey is MGAUSPXEZNQHEZ-VOGDQUTBSA-N. The full InChI is InChI=1S/C12H13Cl2N/c1-3-5-8(4-2)12-10(13)6-9(15)7-11(12)14/h3-7H,15H2,1-2H3/b5-3-,8-4+.
What are the key properties of 3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline?
3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline has a molecular weight of 242.15 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline is sourced from PubChem (CID 163770557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).