4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline

C17H21NO2 — CID 43508755

IUPAC4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccc(CC(C)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-13(12-14-4-8-16(19-2)9-5-14)18-15-6-10-17(20-3)11-7-15/h4-11,13,18H,12H2,1-3H3
InChIKeyLKHBPJYZTONVTH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.75
Rot. Bonds6

About 4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline

4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline (PubChem CID 43508755) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
PubChem CID43508755
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccc(CC(C)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-13(12-14-4-8-16(19-2)9-5-14)18-15-6-10-17(20-3)11-7-15/h4-11,13,18H,12H2,1-3H3
InChIKeyLKHBPJYZTONVTH-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115916812
N-[1-(4-methoxyphenyl)propan-2-yl]pyridin-3-amine
CID 43508676
5-N-[1-(4-methoxyphenyl)propan-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690659
2-chloro-4-[1-(4-methoxyphenyl)propan-2-ylamino]benzonitrile
CID 43508838
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpyrazol-4-amine
CID 62902829
3-ethoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 60936370
1-(4-methoxyphenyl)propan-2-ylhydrazine;dihydrochloride
CID 70058414
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline
CID 122394146

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
The IUPAC name of 4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline (CID 43508755) is 4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline.
What is the SMILES notation for 4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
The canonical SMILES for 4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline is COc1ccc(CC(C)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
The InChIKey is LKHBPJYZTONVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(12-14-4-8-16(19-2)9-5-14)18-15-6-10-17(20-3)11-7-15/h4-11,13,18H,12H2,1-3H3.
What are the key properties of 4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline has a molecular weight of 271.36 g/mol, XLogP of 3.75, 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-(4-methoxyphenyl)propan-2-yl]aniline is sourced from PubChem (CID 43508755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).