1-(2,6-dichlorophenyl)heptan-1-amine

C13H19Cl2N — CID 115833237

IUPAC1-(2,6-dichlorophenyl)heptan-1-amine
SMILESCCCCCCC(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-2-3-4-5-9-12(16)13-10(14)7-6-8-11(13)15/h6-8,12H,2-5,9,16H2,1H3
InChIKeyZYEQCDWBHWOBLR-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.96
Rot. Bonds6

About 1-(2,6-dichlorophenyl)heptan-1-amine

1-(2,6-dichlorophenyl)heptan-1-amine (PubChem CID 115833237) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)heptan-1-amine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)heptan-1-amine
PubChem CID115833237
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(2,6-dichlorophenyl)heptan-1-amine
SMILESCCCCCCC(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-2-3-4-5-9-12(16)13-10(14)7-6-8-11(13)15/h6-8,12H,2-5,9,16H2,1H3
InChIKeyZYEQCDWBHWOBLR-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2-chloro-6-methylphenyl)hexan-1-amine;hydrochloride
CID 171210725
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
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
1-(3-chloro-2-methylphenyl)decan-1-amine
CID 107102158
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171197917
(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
1-(3-chloro-2-pyridinyl)tridecan-1-amine
CID 103443784
2-[(1S)-1-aminohexyl]-6-chlorophenol
CID 171224317
(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride
CID 171217462
1-(2,6-dichlorophenyl)-N-methyloctan-1-amine
CID 115832250

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)heptan-1-amine?
The IUPAC name of 1-(2,6-dichlorophenyl)heptan-1-amine (CID 115833237) is 1-(2,6-dichlorophenyl)heptan-1-amine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)heptan-1-amine?
The canonical SMILES for 1-(2,6-dichlorophenyl)heptan-1-amine is CCCCCCC(N)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)heptan-1-amine?
The InChIKey is ZYEQCDWBHWOBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-2-3-4-5-9-12(16)13-10(14)7-6-8-11(13)15/h6-8,12H,2-5,9,16H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)heptan-1-amine?
1-(2,6-dichlorophenyl)heptan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)heptan-1-amine is sourced from PubChem (CID 115833237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).