2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline

C16H19NO3 — CID 166073807

IUPAC2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline
SMILESCOc1ccc(Oc2ccc(OC(C)C)cc2)cc1N
InChIInChI=1S/C16H19NO3/c1-11(2)19-12-4-6-13(7-5-12)20-14-8-9-16(18-3)15(17)10-14/h4-11H,17H2,1-3H3
InChIKeyNGBSDCHTMZSMEK-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.86
Rot. Bonds5

About 2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline

2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline (PubChem CID 166073807) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline.

Molecular Properties

Compound Name2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline
PubChem CID166073807
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline
SMILESCOc1ccc(Oc2ccc(OC(C)C)cc2)cc1N
InChIInChI=1S/C16H19NO3/c1-11(2)19-12-4-6-13(7-5-12)20-14-8-9-16(18-3)15(17)10-14/h4-11H,17H2,1-3H3
InChIKeyNGBSDCHTMZSMEK-UHFFFAOYSA-N
XLogP3.86
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-propan-2-yloxyaniline
CID 10081024
5-[4-(difluoromethyl)phenoxy]-2-methoxyaniline
CID 166073803
2,5-di(propan-2-yloxy)aniline
CID 18997718
3-amino-4-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 39423304
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
5-(3-fluorophenoxy)-2-methoxyaniline
CID 166073866
2-(3-amino-4-methoxyphenoxy)propanenitrile
CID 103201436
4-[4-[1-[4-(4-amino-3-methoxyphenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139713080
4-[4-[1-[4-(4-aminophenoxy)phenyl]ethyl]phenoxy]-2-methoxyaniline
CID 139712997
4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline
CID 83005064
1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine
CID 91533455
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline?
The IUPAC name of 2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline (CID 166073807) is 2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline.
What is the SMILES notation for 2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline?
The canonical SMILES for 2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline is COc1ccc(Oc2ccc(OC(C)C)cc2)cc1N.
What is the InChIKey of 2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline?
The InChIKey is NGBSDCHTMZSMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(2)19-12-4-6-13(7-5-12)20-14-8-9-16(18-3)15(17)10-14/h4-11H,17H2,1-3H3.
What are the key properties of 2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline?
2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline has a molecular weight of 273.33 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-propan-2-yloxyphenoxy)aniline is sourced from PubChem (CID 166073807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).