N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine

C11H14Cl3N — CID 105350377

IUPACN-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine
SMILESCNCCCCc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3N/c1-15-5-3-2-4-9-10(13)6-8(12)7-11(9)14/h6-7,15H,2-5H2,1H3
InChIKeyJBFMMRWNCHBRAQ-UHFFFAOYSA-N
MW266.60 g/mol
LogP4.19
Rot. Bonds5

About N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine

N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine (PubChem CID 105350377) has the molecular formula C11H14Cl3N and a molecular weight of 266.60 g/mol. Its IUPAC name is N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine
PubChem CID105350377
Molecular FormulaC11H14Cl3N
Molecular Weight266.60 g/mol
Exact Mass265.02
IUPAC NameN-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine
SMILESCNCCCCc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3N/c1-15-5-3-2-4-9-10(13)6-8(12)7-11(9)14/h6-7,15H,2-5H2,1H3
InChIKeyJBFMMRWNCHBRAQ-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.60
LogP ≤ 54.19
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

N-(2-methylpropyl)-4-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350340
1-(2,4-dichloro-6-methylphenyl)-N-methylmethanamine
CID 18721638
2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide
CID 90737311
4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 116924844
6-(3,4-dichlorophenyl)-N-methylhexan-1-amine
CID 65308866
4-(4-chlorophenyl)-N-methylbutan-1-amine;molecular hydrogen
CID 158339832
methanesulfonic acid;2-(2,4,6-trichlorophenyl)ethanol
CID 88714036
2,4-dichloro-6-[2-(methylamino)ethyl]phenol
CID 83889183
5-(2,5-dichlorothiophen-3-yl)-N-methylpentan-1-amine
CID 65305952
N-methyl-5-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 65300910
5-(4-bromo-5-chloro-2-fluorophenyl)-N-methylpentan-1-amine
CID 105400371
N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141118

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine?
The IUPAC name of N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine (CID 105350377) is N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine?
The canonical SMILES for N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine is CNCCCCc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine?
The InChIKey is JBFMMRWNCHBRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3N/c1-15-5-3-2-4-9-10(13)6-8(12)7-11(9)14/h6-7,15H,2-5H2,1H3.
What are the key properties of N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine?
N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine has a molecular weight of 266.60 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine is sourced from PubChem (CID 105350377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).