2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline

C16H17Cl2N — CID 43098482

IUPAC2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
SMILESCCC(Nc1cc(Cl)ccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C16H17Cl2N/c1-3-15(12-6-4-11(2)5-7-12)19-16-10-13(17)8-9-14(16)18/h4-10,15,19H,3H2,1-2H3
InChIKeyFORZMIOKQOHPPX-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.87
Rot. Bonds4

About 2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline

2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline (PubChem CID 43098482) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
PubChem CID43098482
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
SMILESCCC(Nc1cc(Cl)ccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C16H17Cl2N/c1-3-15(12-6-4-11(2)5-7-12)19-16-10-13(17)8-9-14(16)18/h4-10,15,19H,3H2,1-2H3
InChIKeyFORZMIOKQOHPPX-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-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine
CID 43741160
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43111206
N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
CID 63451185
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
5-bromo-2-fluoro-N-[1-(4-methylphenyl)propyl]aniline
CID 43555340
N-[1-(3-bromophenyl)propyl]-2-chloro-5-methylaniline
CID 107630771
2,5-dichloro-N-(1-phenylpentyl)aniline
CID 43757186
2-bromo-5-methyl-N-[1-(4-methylphenyl)propyl]aniline
CID 82761260
N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
CID 63476825
2,5-dichloro-N-(1-phenylhexyl)aniline
CID 63418391

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline?
The IUPAC name of 2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline (CID 43098482) is 2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline is CCC(Nc1cc(Cl)ccc1Cl)c1ccc(C)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline?
The InChIKey is FORZMIOKQOHPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-3-15(12-6-4-11(2)5-7-12)19-16-10-13(17)8-9-14(16)18/h4-10,15,19H,3H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline?
2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline 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 2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline is sourced from PubChem (CID 43098482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).