4-(2,5-dichlorophenyl)hexan-1-amine

C12H17Cl2N — CID 83931331

IUPAC4-(2,5-dichlorophenyl)hexan-1-amine
SMILESCCC(CCCN)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-2-9(4-3-7-15)11-8-10(13)5-6-12(11)14/h5-6,8-9H,2-4,7,15H2,1H3
InChIKeyFLJOFRLKYKNNLC-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.23
Rot. Bonds5

About 4-(2,5-dichlorophenyl)hexan-1-amine

4-(2,5-dichlorophenyl)hexan-1-amine (PubChem CID 83931331) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)hexan-1-amine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)hexan-1-amine
PubChem CID83931331
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name4-(2,5-dichlorophenyl)hexan-1-amine
SMILESCCC(CCCN)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-2-9(4-3-7-15)11-8-10(13)5-6-12(11)14/h5-6,8-9H,2-4,7,15H2,1H3
InChIKeyFLJOFRLKYKNNLC-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-chloro-2-ethoxyphenyl)hexan-1-amine
CID 83933222
(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine
CID 171202730
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
1-(2,5-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028229
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
4-(4-chlorophenyl)heptan-1-amine
CID 83931131
(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine
CID 131460461
4-(3-chlorophenyl)heptane-1,7-diamine
CID 170878710
1-(2,5-dichlorophenyl)-2-methylpentan-1-amine
CID 43167292

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)hexan-1-amine?
The IUPAC name of 4-(2,5-dichlorophenyl)hexan-1-amine (CID 83931331) is 4-(2,5-dichlorophenyl)hexan-1-amine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)hexan-1-amine?
The canonical SMILES for 4-(2,5-dichlorophenyl)hexan-1-amine is CCC(CCCN)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichlorophenyl)hexan-1-amine?
The InChIKey is FLJOFRLKYKNNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-2-9(4-3-7-15)11-8-10(13)5-6-12(11)14/h5-6,8-9H,2-4,7,15H2,1H3.
What are the key properties of 4-(2,5-dichlorophenyl)hexan-1-amine?
4-(2,5-dichlorophenyl)hexan-1-amine has a molecular weight of 246.18 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)hexan-1-amine is sourced from PubChem (CID 83931331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).