N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline

C17H20ClNO — CID 63451185

IUPACN-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-4-15(13-6-8-14(18)9-7-13)19-16-10-5-12(2)11-17(16)20-3/h5-11,15,19H,4H2,1-3H3
InChIKeyDTKHSXOFHWSXCS-UHFFFAOYSA-N
MW289.81 g/mol
LogP5.22
Rot. Bonds5

About N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline

N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline (PubChem CID 63451185) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
PubChem CID63451185
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-4-15(13-6-8-14(18)9-7-13)19-16-10-5-12(2)11-17(16)20-3/h5-11,15,19H,4H2,1-3H3
InChIKeyDTKHSXOFHWSXCS-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.81
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-4-fluoro-2-methoxyaniline
CID 63455009
N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline
CID 43107521
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline
CID 83058583
N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline
CID 63454836
2-ethoxy-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 63452945
2,5-dichloro-N-[1-(4-methylphenyl)propyl]aniline
CID 43098482
4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine
CID 43741160
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43122613
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
CID 63476825
N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline
CID 64918846
N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline (CID 63451185) is N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline is CCC(Nc1ccc(C)cc1OC)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline?
The InChIKey is DTKHSXOFHWSXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-15(13-6-8-14(18)9-7-13)19-16-10-5-12(2)11-17(16)20-3/h5-11,15,19H,4H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline?
N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline has a molecular weight of 289.81 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline is sourced from PubChem (CID 63451185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).