N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline

C18H22ClNO — CID 43107521

IUPACN-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline
SMILESCCCC(Nc1cc(C)ccc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-4-5-16(14-7-9-15(19)10-8-14)20-17-12-13(2)6-11-18(17)21-3/h6-12,16,20H,4-5H2,1-3H3
InChIKeyQVMSCZYLERSDFN-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.61
Rot. Bonds6

About N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline

N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline (PubChem CID 43107521) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline
PubChem CID43107521
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline
SMILESCCCC(Nc1cc(C)ccc1OC)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-4-5-16(14-7-9-15(19)10-8-14)20-17-12-13(2)6-11-18(17)21-3/h6-12,16,20H,4-5H2,1-3H3
InChIKeyQVMSCZYLERSDFN-UHFFFAOYSA-N
XLogP5.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
CID 63451185
N-[1-(4-chlorophenyl)butyl]-4-fluoro-2-methoxyaniline
CID 63454836
N-heptan-4-yl-2-methoxy-5-methylaniline
CID 29294066
2,5-dimethoxy-N-(1-phenylbutyl)aniline
CID 43099657
5-chloro-N-heptan-4-yl-2-methoxyaniline
CID 28510318
N-hexan-2-yl-2-methoxy-5-methylaniline
CID 43761107
4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline
CID 43095521
2,5-dimethyl-N-(1-phenylbutyl)aniline
CID 43110358
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline
CID 43110887
3-(2-methoxy-5-methylanilino)-3-phenylpropanenitrile
CID 62780374
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline (CID 43107521) is N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline is CCCC(Nc1cc(C)ccc1OC)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline?
The InChIKey is QVMSCZYLERSDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-5-16(14-7-9-15(19)10-8-14)20-17-12-13(2)6-11-18(17)21-3/h6-12,16,20H,4-5H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline?
N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline has a molecular weight of 303.83 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 43107521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).