1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine

C12H13Cl2N — CID 15527266

IUPAC1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine
SMILESC=C=CCCC(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N/c1-2-3-4-5-12(15)10-7-6-9(13)8-11(10)14/h3,6-8,12H,1,4-5,15H2
InChIKeyITQQBLVHMMFGPJ-UHFFFAOYSA-N
MW242.15 g/mol
LogP4.11
Rot. Bonds4

About 1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine

1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine (PubChem CID 15527266) has the molecular formula C12H13Cl2N and a molecular weight of 242.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine
PubChem CID15527266
Molecular FormulaC12H13Cl2N
Molecular Weight242.15 g/mol
Exact Mass241.04
IUPAC Name1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine
SMILESC=C=CCCC(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N/c1-2-3-4-5-12(15)10-7-6-9(13)8-11(10)14/h3,6-8,12H,1,4-5,15H2
InChIKeyITQQBLVHMMFGPJ-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
(4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride
CID 171232170
6-amino-6-(2,4-dichlorophenyl)hexanamide
CID 61271207
(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine
CID 131456103
(1R)-1-(2-bromo-4-chlorophenyl)pent-4-en-1-amine;hydrochloride
CID 171203790
1-(2,4-dichlorophenyl)-4-phenoxybutan-1-amine
CID 84752996
2-[(1S)-1-aminopent-4-enyl]-4-chloroaniline
CID 171233858
1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028050
2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol
CID 171217147

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine (CID 15527266) is 1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine is C=C=CCCC(N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine?
The InChIKey is ITQQBLVHMMFGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N/c1-2-3-4-5-12(15)10-7-6-9(13)8-11(10)14/h3,6-8,12H,1,4-5,15H2.
What are the key properties of 1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine?
1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine has a molecular weight of 242.15 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine is sourced from PubChem (CID 15527266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).