N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline

C17H20ClN — CID 43108475

IUPACN-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline
SMILESCCC(Nc1ccc(C)cc1C)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN/c1-4-16(14-6-5-7-15(18)11-14)19-17-9-8-12(2)10-13(17)3/h5-11,16,19H,4H2,1-3H3
InChIKeyCPYJXZBQNDDWTM-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.52
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline

N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline (PubChem CID 43108475) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline
PubChem CID43108475
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline
SMILESCCC(Nc1ccc(C)cc1C)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN/c1-4-16(14-6-5-7-15(18)11-14)19-17-9-8-12(2)10-13(17)3/h5-11,16,19H,4H2,1-3H3
InChIKeyCPYJXZBQNDDWTM-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(3-chlorophenyl)propyl]-4-methylaniline
CID 43107792
4-[1-(3-chlorophenyl)propylamino]-3-methylbenzoic acid
CID 43736124
N-[1-(3-chlorophenyl)propyl]-2,3-dimethylaniline
CID 43097470
4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide
CID 43706964
2,4-dimethyl-N-[1-(3-nitrophenyl)propyl]aniline
CID 43246193
N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline
CID 63452522
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420
N-[1-(3-bromophenyl)propyl]-2-chloro-5-methylaniline
CID 107630771
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(3-chlorophenyl)propyl]-4-methoxy-3-methylaniline
CID 63455500
N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline
CID 43750406

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline (CID 43108475) is N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline is CCC(Nc1ccc(C)cc1C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline?
The InChIKey is CPYJXZBQNDDWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-4-16(14-6-5-7-15(18)11-14)19-17-9-8-12(2)10-13(17)3/h5-11,16,19H,4H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline?
N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline has a molecular weight of 273.81 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline is sourced from PubChem (CID 43108475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).