1-(2,5-dichlorophenyl)-N-methylhexan-1-amine

C13H19Cl2N — CID 43486640

IUPAC1-(2,5-dichlorophenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-4-5-6-13(16-2)11-9-10(14)7-8-12(11)15/h7-9,13,16H,3-6H2,1-2H3
InChIKeyXRFVBLJPYAITDN-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.83
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-N-methylhexan-1-amine

1-(2,5-dichlorophenyl)-N-methylhexan-1-amine (PubChem CID 43486640) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-methylhexan-1-amine
PubChem CID43486640
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(2,5-dichlorophenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2N/c1-3-4-5-6-13(16-2)11-9-10(14)7-8-12(11)15/h7-9,13,16H,3-6H2,1-2H3
InChIKeyXRFVBLJPYAITDN-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 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 ≤ 54.83
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

1-(2,5-dichlorophenyl)-N-methylnonan-1-amine
CID 65449520
1-(2,5-dichlorophenyl)-N-methyldecan-1-amine
CID 65449519
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
CID 43486635
1-(5-chloro-2-methylphenyl)-N-methylnonan-1-amine
CID 115835500
1-(5-chloro-2-methylphenyl)-N-methylundecan-1-amine
CID 115845912
1-(5-bromo-2-chlorophenyl)-N-methylundecan-1-amine
CID 115846020
3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64813241
1,4-dichloro-2-(1-chlorooctyl)benzene
CID 63436691
1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine
CID 65128210
1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine
CID 65129380
1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine
CID 79591637
1-(3-chloro-4-fluorophenyl)-N-methylnonan-1-amine
CID 63418571

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-methylhexan-1-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-methylhexan-1-amine (CID 43486640) is 1-(2,5-dichlorophenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-methylhexan-1-amine is CCCCCC(NC)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-methylhexan-1-amine?
The InChIKey is XRFVBLJPYAITDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-3-4-5-6-13(16-2)11-9-10(14)7-8-12(11)15/h7-9,13,16H,3-6H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-methylhexan-1-amine?
1-(2,5-dichlorophenyl)-N-methylhexan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 43486640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).