6-(2-chlorophenyl)heptan-3-amine

C13H20ClN — CID 83924191

IUPAC6-(2-chlorophenyl)heptan-3-amine
SMILESCCC(N)CCC(C)c1ccccc1Cl
InChIInChI=1S/C13H20ClN/c1-3-11(15)9-8-10(2)12-6-4-5-7-13(12)14/h4-7,10-11H,3,8-9,15H2,1-2H3
InChIKeyZLLQAHYTZNQTNU-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.96
Rot. Bonds5

About 6-(2-chlorophenyl)heptan-3-amine

6-(2-chlorophenyl)heptan-3-amine (PubChem CID 83924191) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 6-(2-chlorophenyl)heptan-3-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)heptan-3-amine
PubChem CID83924191
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name6-(2-chlorophenyl)heptan-3-amine
SMILESCCC(N)CCC(C)c1ccccc1Cl
InChIInChI=1S/C13H20ClN/c1-3-11(15)9-8-10(2)12-6-4-5-7-13(12)14/h4-7,10-11H,3,8-9,15H2,1-2H3
InChIKeyZLLQAHYTZNQTNU-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-N-propylbutan-1-amine
CID 81019163
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
5-(2,3-dichlorophenyl)hexan-2-amine
CID 83924701
5-amino-2-(2-chlorophenyl)octan-4-ol
CID 83924268
1-chloro-2-(1-ethoxypropan-2-yl)benzene
CID 91386695
6-(4-ethylphenyl)heptan-3-amine
CID 83922585
N-tert-butyl-3-(2-chlorophenyl)butan-1-amine
CID 81018856
1-(2-chlorophenyl)-2-ethylhexan-1-amine
CID 115800977
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55018516
2-(2-chlorophenyl)pentan-3-ol
CID 79298704
1-(2-chlorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644134

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)heptan-3-amine?
The IUPAC name of 6-(2-chlorophenyl)heptan-3-amine (CID 83924191) is 6-(2-chlorophenyl)heptan-3-amine.
What is the SMILES notation for 6-(2-chlorophenyl)heptan-3-amine?
The canonical SMILES for 6-(2-chlorophenyl)heptan-3-amine is CCC(N)CCC(C)c1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenyl)heptan-3-amine?
The InChIKey is ZLLQAHYTZNQTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-3-11(15)9-8-10(2)12-6-4-5-7-13(12)14/h4-7,10-11H,3,8-9,15H2,1-2H3.
What are the key properties of 6-(2-chlorophenyl)heptan-3-amine?
6-(2-chlorophenyl)heptan-3-amine has a molecular weight of 225.76 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)heptan-3-amine is sourced from PubChem (CID 83924191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).