1-(2,4-dichlorophenyl)hexan-3-amine

C12H17Cl2N — CID 43370461

IUPAC1-(2,4-dichlorophenyl)hexan-3-amine
SMILESCCCC(N)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-2-3-11(15)7-5-9-4-6-10(13)8-12(9)14/h4,6,8,11H,2-3,5,7,15H2,1H3
InChIKeyLZTXEBUWSIFHMS-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.05
Rot. Bonds5

About 1-(2,4-dichlorophenyl)hexan-3-amine

1-(2,4-dichlorophenyl)hexan-3-amine (PubChem CID 43370461) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)hexan-3-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)hexan-3-amine
PubChem CID43370461
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name1-(2,4-dichlorophenyl)hexan-3-amine
SMILESCCCC(N)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-2-3-11(15)7-5-9-4-6-10(13)8-12(9)14/h4,6,8,11H,2-3,5,7,15H2,1H3
InChIKeyLZTXEBUWSIFHMS-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-1-(2,4-dichlorophenyl)heptan-3-ol
CID 83928392
1-(4-chlorophenyl)hexan-3-amine
CID 43370464
1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
4-amino-1-(2,5-dichlorophenyl)heptan-2-one
CID 116607917
1-(2,6-dichlorophenyl)hexan-3-amine
CID 43175876
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
4-(2,4-dichlorophenyl)-2-methylbutanenitrile
CID 57027165
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
4-(2,4-dichlorophenyl)butane-1,2-diol
CID 57073476
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)hexan-3-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)hexan-3-amine (CID 43370461) is 1-(2,4-dichlorophenyl)hexan-3-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)hexan-3-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)hexan-3-amine is CCCC(N)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)hexan-3-amine?
The InChIKey is LZTXEBUWSIFHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-2-3-11(15)7-5-9-4-6-10(13)8-12(9)14/h4,6,8,11H,2-3,5,7,15H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)hexan-3-amine?
1-(2,4-dichlorophenyl)hexan-3-amine has a molecular weight of 246.18 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)hexan-3-amine is sourced from PubChem (CID 43370461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).