2,5-dimethoxy-N-(1-phenylbutyl)aniline

C18H23NO2 — CID 43099657

IUPAC2,5-dimethoxy-N-(1-phenylbutyl)aniline
SMILESCCCC(Nc1cc(OC)ccc1OC)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-4-8-16(14-9-6-5-7-10-14)19-17-13-15(20-2)11-12-18(17)21-3/h5-7,9-13,16,19H,4,8H2,1-3H3
InChIKeyHSJBMZAWHJMCNM-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.66
Rot. Bonds7

About 2,5-dimethoxy-N-(1-phenylbutyl)aniline

2,5-dimethoxy-N-(1-phenylbutyl)aniline (PubChem CID 43099657) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(1-phenylbutyl)aniline.

Molecular Properties

Compound Name2,5-dimethoxy-N-(1-phenylbutyl)aniline
PubChem CID43099657
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2,5-dimethoxy-N-(1-phenylbutyl)aniline
SMILESCCCC(Nc1cc(OC)ccc1OC)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-4-8-16(14-9-6-5-7-10-14)19-17-13-15(20-2)11-12-18(17)21-3/h5-7,9-13,16,19H,4,8H2,1-3H3
InChIKeyHSJBMZAWHJMCNM-UHFFFAOYSA-N
XLogP4.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline
CID 43760231
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156110
N-[1-(3-methoxyphenyl)butyl]naphthalen-1-amine
CID 70057339
N-[1-(4-chlorophenyl)butyl]-2-methoxy-5-methylaniline
CID 43107521
2,5-dimethoxy-N-octan-2-ylaniline
CID 43129776
N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720331
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62050261
2-methoxy-N-(1-phenylbutyl)pyridin-3-amine
CID 43721710
3-methoxy-2,4-dimethyl-N-(1-phenylbutyl)aniline
CID 43738935
ethyl 3-(2,4-dimethoxyanilino)-3-phenylpropanoate
CID 101207114
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
N-[(4-methoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156102

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(1-phenylbutyl)aniline?
The IUPAC name of 2,5-dimethoxy-N-(1-phenylbutyl)aniline (CID 43099657) is 2,5-dimethoxy-N-(1-phenylbutyl)aniline.
What is the SMILES notation for 2,5-dimethoxy-N-(1-phenylbutyl)aniline?
The canonical SMILES for 2,5-dimethoxy-N-(1-phenylbutyl)aniline is CCCC(Nc1cc(OC)ccc1OC)c1ccccc1.
What is the InChIKey of 2,5-dimethoxy-N-(1-phenylbutyl)aniline?
The InChIKey is HSJBMZAWHJMCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-8-16(14-9-6-5-7-10-14)19-17-13-15(20-2)11-12-18(17)21-3/h5-7,9-13,16,19H,4,8H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-(1-phenylbutyl)aniline?
2,5-dimethoxy-N-(1-phenylbutyl)aniline has a molecular weight of 285.39 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(1-phenylbutyl)aniline is sourced from PubChem (CID 43099657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).