1-(2,6-dichlorophenyl)hexan-3-amine

C12H17Cl2N — CID 43175876

IUPAC1-(2,6-dichlorophenyl)hexan-3-amine
SMILESCCCC(N)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-2-4-9(15)7-8-10-11(13)5-3-6-12(10)14/h3,5-6,9H,2,4,7-8,15H2,1H3
InChIKeyPBRQKPDNQFYZJC-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.05
Rot. Bonds5

About 1-(2,6-dichlorophenyl)hexan-3-amine

1-(2,6-dichlorophenyl)hexan-3-amine (PubChem CID 43175876) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)hexan-3-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)hexan-3-amine
PubChem CID43175876
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name1-(2,6-dichlorophenyl)hexan-3-amine
SMILESCCCC(N)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-2-4-9(15)7-8-10-11(13)5-3-6-12(10)14/h3,5-6,9H,2,4,7-8,15H2,1H3
InChIKeyPBRQKPDNQFYZJC-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

1-(2,3-dichlorophenyl)hexan-3-amine
CID 64504833
4-amino-1-(2,6-dichlorophenyl)heptan-3-ol
CID 83924985
2-(3-bromohexyl)-1,3-dichlorobenzene
CID 63471801
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
(1S)-1-(2-chloro-6-methylphenyl)butan-1-amine
CID 131080985
4-amino-1-(2,6-dichlorophenyl)pentan-3-ol
CID 83924979
1-(4-chlorophenyl)hexan-3-amine
CID 43370464
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
(3R)-1-phenylhexan-3-amine
CID 66612996
(2S)-1-(2-chlorophenyl)pentan-2-amine
CID 104932386

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)hexan-3-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)hexan-3-amine (CID 43175876) is 1-(2,6-dichlorophenyl)hexan-3-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)hexan-3-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)hexan-3-amine is CCCC(N)CCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)hexan-3-amine?
The InChIKey is PBRQKPDNQFYZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-2-4-9(15)7-8-10-11(13)5-3-6-12(10)14/h3,5-6,9H,2,4,7-8,15H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)hexan-3-amine?
1-(2,6-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-(2,6-dichlorophenyl)hexan-3-amine is sourced from PubChem (CID 43175876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).