4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline

C17H21NO2 — CID 46204143

IUPAC4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1ccc(OC)cc1)c1cccc(OC)c1
InChIInChI=1S/C17H21NO2/c1-4-17(13-6-5-7-16(12-13)20-3)18-14-8-10-15(19-2)11-9-14/h5-12,17-18H,4H2,1-3H3
InChIKeyNBADNVRIAWBSHA-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.27
Rot. Bonds6

About 4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline

4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline (PubChem CID 46204143) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline
PubChem CID46204143
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline
SMILESCCC(Nc1ccc(OC)cc1)c1cccc(OC)c1
InChIInChI=1S/C17H21NO2/c1-4-17(13-6-5-7-16(12-13)20-3)18-14-8-10-15(19-2)11-9-14/h5-12,17-18H,4H2,1-3H3
InChIKeyNBADNVRIAWBSHA-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-bromophenyl)propyl]-4-methoxyaniline
CID 43766009
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
4-methoxy-N-[(1R)-1-(3-methoxyphenyl)-2-nitroethyl]aniline
CID 94714158
4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline
CID 114870959
3-methoxy-N-[1-(3-nitrophenyl)propyl]aniline
CID 43133301
(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
CID 103778510
3,4,5-trifluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 62809328
N-[1-(3-bromophenyl)propyl]-2,5-dimethoxyaniline
CID 43760231
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
methyl (3S)-3-(3-chlorophenyl)-3-(4-methoxyanilino)propanoate
CID 102577754
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
4-chloro-3-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43721457

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline?
The IUPAC name of 4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline (CID 46204143) is 4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline.
What is the SMILES notation for 4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline?
The canonical SMILES for 4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline is CCC(Nc1ccc(OC)cc1)c1cccc(OC)c1.
What is the InChIKey of 4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline?
The InChIKey is NBADNVRIAWBSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-17(13-6-5-7-16(12-13)20-3)18-14-8-10-15(19-2)11-9-14/h5-12,17-18H,4H2,1-3H3.
What are the key properties of 4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline?
4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline has a molecular weight of 271.36 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline is sourced from PubChem (CID 46204143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).