5-(2,3-dichlorophenyl)hexan-2-amine

C12H17Cl2N — CID 83924701

IUPAC5-(2,3-dichlorophenyl)hexan-2-amine
SMILESCC(N)CCC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2N/c1-8(6-7-9(2)15)10-4-3-5-11(13)12(10)14/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyJRUPGRWEUZJHAV-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.22
Rot. Bonds4

About 5-(2,3-dichlorophenyl)hexan-2-amine

5-(2,3-dichlorophenyl)hexan-2-amine (PubChem CID 83924701) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)hexan-2-amine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)hexan-2-amine
PubChem CID83924701
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name5-(2,3-dichlorophenyl)hexan-2-amine
SMILESCC(N)CCC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2N/c1-8(6-7-9(2)15)10-4-3-5-11(13)12(10)14/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyJRUPGRWEUZJHAV-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
5-(2,3-dichlorophenyl)hexane-2,3-diol
CID 83924753
3-(2,3-dichlorophenyl)butyl thiocyanate
CID 112717515
(2,3-dichlorophenyl)methanediamine
CID 139660481
3-(2,3-dichlorophenyl)butanenitrile
CID 83639930
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
6-(2-chlorophenyl)heptan-3-amine
CID 83924191
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
(4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine
CID 43108281
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol
CID 83924659
(1S,2R)-1-amino-1-(2,3-dichlorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171268023
4-[2-(2,3-dichlorophenyl)propyl]pyridine
CID 143835492

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)hexan-2-amine?
The IUPAC name of 5-(2,3-dichlorophenyl)hexan-2-amine (CID 83924701) is 5-(2,3-dichlorophenyl)hexan-2-amine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)hexan-2-amine?
The canonical SMILES for 5-(2,3-dichlorophenyl)hexan-2-amine is CC(N)CCC(C)c1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)hexan-2-amine?
The InChIKey is JRUPGRWEUZJHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-8(6-7-9(2)15)10-4-3-5-11(13)12(10)14/h3-5,8-9H,6-7,15H2,1-2H3.
What are the key properties of 5-(2,3-dichlorophenyl)hexan-2-amine?
5-(2,3-dichlorophenyl)hexan-2-amine has a molecular weight of 246.18 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)hexan-2-amine is sourced from PubChem (CID 83924701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).