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

C11H14Cl3N — CID 63388129

IUPAC2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine
SMILESCC(Cl)CN(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl3N/c1-8(12)6-15(2)7-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3
InChIKeySGHXMRUYKNWCAA-UHFFFAOYSA-N
MW266.60 g/mol
LogP4.05
Rot. Bonds4

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

2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine (PubChem CID 63388129) has the molecular formula C11H14Cl3N and a molecular weight of 266.60 g/mol. Its IUPAC name is 2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine
PubChem CID63388129
Molecular FormulaC11H14Cl3N
Molecular Weight266.60 g/mol
Exact Mass265.02
IUPAC Name2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine
SMILESCC(Cl)CN(C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl3N/c1-8(12)6-15(2)7-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3
InChIKeySGHXMRUYKNWCAA-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.60
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,6-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007398
N-[(2,6-dichlorophenyl)methyl]-N-methylethanamine
CID 60516634
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 62333927
1-[(2-chloro-6-nitrophenyl)methyl-methylamino]propan-2-ol
CID 55241491
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79260632
N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374397
N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645596
2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide
CID 77144367
1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene
CID 63459849
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
1-[(2,6-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 79006487
(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(2,6-dichlorophenoxy)propan-2-ol
CID 2090777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine (CID 63388129) is 2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine is CC(Cl)CN(C)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is SGHXMRUYKNWCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3N/c1-8(12)6-15(2)7-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine?
2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 266.60 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,6-dichlorophenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 63388129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).