3-(3-ethylphenoxy)-5-propan-2-yloxyaniline

C17H21NO2 — CID 80748281

IUPAC3-(3-ethylphenoxy)-5-propan-2-yloxyaniline
SMILESCCc1cccc(Oc2cc(N)cc(OC(C)C)c2)c1
InChIInChI=1S/C17H21NO2/c1-4-13-6-5-7-15(8-13)20-17-10-14(18)9-16(11-17)19-12(2)3/h5-12H,4,18H2,1-3H3
InChIKeyVBGRDEVUDPWHTQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.41
Rot. Bonds5

About 3-(3-ethylphenoxy)-5-propan-2-yloxyaniline

3-(3-ethylphenoxy)-5-propan-2-yloxyaniline (PubChem CID 80748281) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(3-ethylphenoxy)-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-(3-ethylphenoxy)-5-propan-2-yloxyaniline
PubChem CID80748281
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(3-ethylphenoxy)-5-propan-2-yloxyaniline
SMILESCCc1cccc(Oc2cc(N)cc(OC(C)C)c2)c1
InChIInChI=1S/C17H21NO2/c1-4-13-6-5-7-15(8-13)20-17-10-14(18)9-16(11-17)19-12(2)3/h5-12H,4,18H2,1-3H3
InChIKeyVBGRDEVUDPWHTQ-UHFFFAOYSA-N
XLogP4.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.41
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

3-(3-chlorophenoxy)-5-propan-2-yloxyaniline
CID 80748608
3-(3-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995318
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline
CID 80752679
6-(3-ethylphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 43262374
1-(3-ethylphenoxy)ethanol
CID 66709778
3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline
CID 80753185
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline
CID 80747976
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
ethane;1-ethyl-3-(1-fluoroethoxy)benzene
CID 170603835

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenoxy)-5-propan-2-yloxyaniline?
The IUPAC name of 3-(3-ethylphenoxy)-5-propan-2-yloxyaniline (CID 80748281) is 3-(3-ethylphenoxy)-5-propan-2-yloxyaniline.
What is the SMILES notation for 3-(3-ethylphenoxy)-5-propan-2-yloxyaniline?
The canonical SMILES for 3-(3-ethylphenoxy)-5-propan-2-yloxyaniline is CCc1cccc(Oc2cc(N)cc(OC(C)C)c2)c1.
What is the InChIKey of 3-(3-ethylphenoxy)-5-propan-2-yloxyaniline?
The InChIKey is VBGRDEVUDPWHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-13-6-5-7-15(8-13)20-17-10-14(18)9-16(11-17)19-12(2)3/h5-12H,4,18H2,1-3H3.
What are the key properties of 3-(3-ethylphenoxy)-5-propan-2-yloxyaniline?
3-(3-ethylphenoxy)-5-propan-2-yloxyaniline has a molecular weight of 271.36 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenoxy)-5-propan-2-yloxyaniline is sourced from PubChem (CID 80748281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).