3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine

C11H14Cl3N — CID 65037486

IUPAC3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(CCl)CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl3N/c1-8(5-12)6-15-7-9-10(13)3-2-4-11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyFTTNTWBPMLHBLS-UHFFFAOYSA-N
MW266.60 g/mol
LogP3.96
Rot. Bonds5

About 3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine

3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine (PubChem CID 65037486) has the molecular formula C11H14Cl3N and a molecular weight of 266.60 g/mol. Its IUPAC name is 3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine
PubChem CID65037486
Molecular FormulaC11H14Cl3N
Molecular Weight266.60 g/mol
Exact Mass265.02
IUPAC Name3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine
SMILESCC(CCl)CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl3N/c1-8(5-12)6-15-7-9-10(13)3-2-4-11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyFTTNTWBPMLHBLS-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089888
1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43109817
1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol
CID 115630633
N-benzyl-3-chloro-2-methylpropan-1-amine
CID 65031724
N-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981738
N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763904
1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine
CID 65025739
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
3-chloro-2-[(2-ethylbutylamino)methyl]phenol
CID 115625696
(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol
CID 96921213
2-methyl-3-[(2,3,6-trichlorophenyl)methylamino]propan-1-ol
CID 78971612
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of 3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine (CID 65037486) is 3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine is CC(CCl)CNCc1c(Cl)cccc1Cl.
What is the InChIKey of 3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is FTTNTWBPMLHBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3N/c1-8(5-12)6-15-7-9-10(13)3-2-4-11(9)14/h2-4,8,15H,5-7H2,1H3.
What are the key properties of 3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine?
3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 266.60 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65037486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).