6-(3,4-dichlorophenyl)-N-methylhexan-1-amine

C13H19Cl2N — CID 65308866

IUPAC6-(3,4-dichlorophenyl)-N-methylhexan-1-amine
SMILESCNCCCCCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2N/c1-16-9-5-3-2-4-6-11-7-8-12(14)13(15)10-11/h7-8,10,16H,2-6,9H2,1H3
InChIKeyLCMGFXLWBUBQPE-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.32
Rot. Bonds7

About 6-(3,4-dichlorophenyl)-N-methylhexan-1-amine

6-(3,4-dichlorophenyl)-N-methylhexan-1-amine (PubChem CID 65308866) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-N-methylhexan-1-amine
PubChem CID65308866
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name6-(3,4-dichlorophenyl)-N-methylhexan-1-amine
SMILESCNCCCCCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2N/c1-16-9-5-3-2-4-6-11-7-8-12(14)13(15)10-11/h7-8,10,16H,2-6,9H2,1H3
InChIKeyLCMGFXLWBUBQPE-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.32
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

4-(3,4-dichlorophenyl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119432244
13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine
CID 53446484
4-(4-chlorophenyl)-N-methylbutan-1-amine;molecular hydrogen
CID 158339832
6-(4-ethylphenyl)-N-methylhexan-1-amine
CID 65308799
N-methyl-9-phenylnonan-1-amine
CID 10609702
N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
CID 96671773
6-(3,4-dichlorophenyl)hexanoic acid
CID 43446941
6-(1,3-dihydro-2-benzofuran-5-yl)-N-methylhexan-1-amine
CID 65306411
2-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 63047021
4-(7-tert-butylsulfonylheptyl)-1,2-dichlorobenzene
CID 159702488
9-(3,4-dichlorophenyl)-3-methylnonan-3-ol
CID 22760127
N-methyl-6-(3-phenylphenyl)hexan-1-amine
CID 142524763

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-N-methylhexan-1-amine?
The IUPAC name of 6-(3,4-dichlorophenyl)-N-methylhexan-1-amine (CID 65308866) is 6-(3,4-dichlorophenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-N-methylhexan-1-amine?
The canonical SMILES for 6-(3,4-dichlorophenyl)-N-methylhexan-1-amine is CNCCCCCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-N-methylhexan-1-amine?
The InChIKey is LCMGFXLWBUBQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-16-9-5-3-2-4-6-11-7-8-12(14)13(15)10-11/h7-8,10,16H,2-6,9H2,1H3.
What are the key properties of 6-(3,4-dichlorophenyl)-N-methylhexan-1-amine?
6-(3,4-dichlorophenyl)-N-methylhexan-1-amine has a molecular weight of 260.21 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 65308866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).