1-(2,6-dichlorophenyl)hex-5-en-1-amine

C12H15Cl2N — CID 104986705

IUPAC1-(2,6-dichlorophenyl)hex-5-en-1-amine
SMILESC=CCCCC(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2N/c1-2-3-4-8-11(15)12-9(13)6-5-7-10(12)14/h2,5-7,11H,1,3-4,8,15H2
InChIKeyYGBAGPKXVJPGQF-UHFFFAOYSA-N
MW244.16 g/mol
LogP4.35
Rot. Bonds5

About 1-(2,6-dichlorophenyl)hex-5-en-1-amine

1-(2,6-dichlorophenyl)hex-5-en-1-amine (PubChem CID 104986705) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)hex-5-en-1-amine
PubChem CID104986705
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name1-(2,6-dichlorophenyl)hex-5-en-1-amine
SMILESC=CCCCC(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2N/c1-2-3-4-8-11(15)12-9(13)6-5-7-10(12)14/h2,5-7,11H,1,3-4,8,15H2
InChIKeyYGBAGPKXVJPGQF-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-chloro-6-fluorophenyl)pent-4-en-1-amine
CID 171200170
(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171197917
(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride
CID 171217462
1-(2,6-dichlorophenyl)heptan-1-amine
CID 115833237
1-(2,6-dichlorophenyl)hept-6-en-2-ylhydrazine
CID 105209700
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755
1-(2,6-dichlorophenyl)pent-4-enylhydrazine
CID 105311563
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
1-(2,6-dichlorophenyl)-4-methylpentan-1-amine
CID 112704553
(1R)-1-(3-chloro-2-fluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171209326

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)hex-5-en-1-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)hex-5-en-1-amine (CID 104986705) is 1-(2,6-dichlorophenyl)hex-5-en-1-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)hex-5-en-1-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)hex-5-en-1-amine is C=CCCCC(N)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)hex-5-en-1-amine?
The InChIKey is YGBAGPKXVJPGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-2-3-4-8-11(15)12-9(13)6-5-7-10(12)14/h2,5-7,11H,1,3-4,8,15H2.
What are the key properties of 1-(2,6-dichlorophenyl)hex-5-en-1-amine?
1-(2,6-dichlorophenyl)hex-5-en-1-amine has a molecular weight of 244.16 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)hex-5-en-1-amine is sourced from PubChem (CID 104986705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).