4-methoxy-3-(4-phenylbutan-2-yloxy)aniline

C17H21NO2 — CID 70162842

IUPAC4-methoxy-3-(4-phenylbutan-2-yloxy)aniline
SMILESCOc1ccc(N)cc1OC(C)CCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-13(8-9-14-6-4-3-5-7-14)20-17-12-15(18)10-11-16(17)19-2/h3-7,10-13H,8-9,18H2,1-2H3
InChIKeyPXYWJZNEGBFOFR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.68
Rot. Bonds6

About 4-methoxy-3-(4-phenylbutan-2-yloxy)aniline

4-methoxy-3-(4-phenylbutan-2-yloxy)aniline (PubChem CID 70162842) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methoxy-3-(4-phenylbutan-2-yloxy)aniline.

Molecular Properties

Compound Name4-methoxy-3-(4-phenylbutan-2-yloxy)aniline
PubChem CID70162842
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-methoxy-3-(4-phenylbutan-2-yloxy)aniline
SMILESCOc1ccc(N)cc1OC(C)CCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-13(8-9-14-6-4-3-5-7-14)20-17-12-15(18)10-11-16(17)19-2/h3-7,10-13H,8-9,18H2,1-2H3
InChIKeyPXYWJZNEGBFOFR-UHFFFAOYSA-N
XLogP3.68
TPSA44.48 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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-nitro-2-(4-phenylbutan-2-yloxy)benzene
CID 70163100
4-methoxy-3-propan-2-yloxyaniline
CID 16785912
4-[4-methoxy-3-[(2R)-5-phenylpentan-2-yl]oxyphenyl]benzamide
CID 10500549
2-[4-methoxy-3-(4-phenylbutan-2-yloxy)phenyl]-3-methyl-3H-isoindol-1-one
CID 70164265
3-methoxy-4-phenylmethoxyaniline
CID 27226
4-benzyl-3-methoxyaniline
CID 22599955
methyl (3S,4R)-3-(1-hydroxyethyl)-4-[4-methoxy-3-(4-phenylbutan-2-yloxy)phenyl]-3-methylpyrrolidine-1-carboxylate
CID 10003440
1,2-dimethoxy-4-[2-(2-methoxyphenoxy)propyl]benzene
CID 57481807
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
2-[[2-[4-methoxy-3-(4-phenylbutan-2-yloxy)phenyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-6-yl]methyl]isoindole-1,3-dione
CID 142665254
1-methoxy-4-nitro-2-phenylmethoxybenzene;4-methoxy-3-phenylmethoxyaniline
CID 159845208

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-phenylbutan-2-yloxy)aniline?
The IUPAC name of 4-methoxy-3-(4-phenylbutan-2-yloxy)aniline (CID 70162842) is 4-methoxy-3-(4-phenylbutan-2-yloxy)aniline.
What is the SMILES notation for 4-methoxy-3-(4-phenylbutan-2-yloxy)aniline?
The canonical SMILES for 4-methoxy-3-(4-phenylbutan-2-yloxy)aniline is COc1ccc(N)cc1OC(C)CCc1ccccc1.
What is the InChIKey of 4-methoxy-3-(4-phenylbutan-2-yloxy)aniline?
The InChIKey is PXYWJZNEGBFOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(8-9-14-6-4-3-5-7-14)20-17-12-15(18)10-11-16(17)19-2/h3-7,10-13H,8-9,18H2,1-2H3.
What are the key properties of 4-methoxy-3-(4-phenylbutan-2-yloxy)aniline?
4-methoxy-3-(4-phenylbutan-2-yloxy)aniline has a molecular weight of 271.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(4-phenylbutan-2-yloxy)aniline is sourced from PubChem (CID 70162842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).