N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine

C16H16Cl3N — CID 105350097

IUPACN-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine
SMILESCCC(NC)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl3N/c1-3-15(20-2)10-4-6-11(7-5-10)16-13(18)8-12(17)9-14(16)19/h4-9,15,20H,3H2,1-2H3
InChIKeyNPBKCXHNJBVXKW-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.98
Rot. Bonds4

About N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine

N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine (PubChem CID 105350097) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine
PubChem CID105350097
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC NameN-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine
SMILESCCC(NC)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl3N/c1-3-15(20-2)10-4-6-11(7-5-10)16-13(18)8-12(17)9-14(16)19/h4-9,15,20H,3H2,1-2H3
InChIKeyNPBKCXHNJBVXKW-UHFFFAOYSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine
CID 63424700
1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine
CID 61227636
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63423811
1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine
CID 54912003
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
1-[4-(3,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 114879199
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43111206
6-chloro-9-[4-[(1S)-1-(methylamino)propyl]phenyl]thieno[2,3-c]quinolin-8-ol
CID 141424064
1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine
CID 113324609
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine?
The IUPAC name of N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine (CID 105350097) is N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine is CCC(NC)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine?
The InChIKey is NPBKCXHNJBVXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c1-3-15(20-2)10-4-6-11(7-5-10)16-13(18)8-12(17)9-14(16)19/h4-9,15,20H,3H2,1-2H3.
What are the key properties of N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine?
N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine has a molecular weight of 328.67 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine is sourced from PubChem (CID 105350097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).