1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine

C16H17Cl2N — CID 63424700

IUPAC1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-3-16(19-2)12-6-4-11(5-7-12)14-10-13(17)8-9-15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyPLYGVOUFWLEIJV-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.33
Rot. Bonds4

About 1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine

1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine (PubChem CID 63424700) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine
PubChem CID63424700
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H17Cl2N/c1-3-16(19-2)12-6-4-11(5-7-12)14-10-13(17)8-9-15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyPLYGVOUFWLEIJV-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[4-(2,4,6-trichlorophenyl)phenyl]propan-1-amine
CID 105350097
1-[4-(3-chlorophenyl)phenyl]-N-methylpropan-1-amine
CID 61227636
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine
CID 54912003
2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
CID 43098482
1-[3-(2,5-dichlorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424386
1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63423811
1-[4-(2-bromophenyl)phenyl]-N-methylpropan-1-amine
CID 113324609
1-[4-(3-fluoro-4-pyridinyl)phenyl]-N-methylpropan-1-amine
CID 113447308
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43111206
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 115863090

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine (CID 63424700) is 1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is PLYGVOUFWLEIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-3-16(19-2)12-6-4-11(5-7-12)14-10-13(17)8-9-15(14)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine?
1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 294.23 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dichlorophenyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 63424700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).