N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline

C16H17Cl2N — CID 43765753

IUPACN-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-3-16(12-6-9-14(17)15(18)10-12)19-13-7-4-11(2)5-8-13/h4-10,16,19H,3H2,1-2H3
InChIKeyMDRKZSHNGBJKDG-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.87
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline

N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline (PubChem CID 43765753) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
PubChem CID43765753
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-3-16(12-6-9-14(17)15(18)10-12)19-13-7-4-11(2)5-8-13/h4-10,16,19H,3H2,1-2H3
InChIKeyMDRKZSHNGBJKDG-UHFFFAOYSA-N
XLogP5.87
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 ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(3,4-dichlorophenyl)propylamino]benzonitrile
CID 43763746
3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline
CID 43758094
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
2-(3-chloro-4-methylphenyl)-2-(4-methylanilino)ethanol
CID 106818133
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one
CID 132593520
2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
CID 43098482
N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline
CID 43765643
N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine
CID 79046612
N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648399
1-(3,4-dichlorophenyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 27519171

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline (CID 43765753) is N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline is CCC(Nc1ccc(C)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline?
The InChIKey is MDRKZSHNGBJKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-3-16(12-6-9-14(17)15(18)10-12)19-13-7-4-11(2)5-8-13/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline?
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline has a molecular weight of 294.23 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline is sourced from PubChem (CID 43765753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).