3-(4-ethoxyphenyl)aniline

C14H15NO — CID 28911173

IUPAC3-(4-ethoxyphenyl)aniline
SMILESCCOc1ccc(-c2cccc(N)c2)cc1
InChIInChI=1S/C14H15NO/c1-2-16-14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-10H,2,15H2,1H3
InChIKeyIPXLDVONSAAOGP-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.33
Rot. Bonds3

About 3-(4-ethoxyphenyl)aniline

3-(4-ethoxyphenyl)aniline (PubChem CID 28911173) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)aniline.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)aniline
PubChem CID28911173
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-(4-ethoxyphenyl)aniline
SMILESCCOc1ccc(-c2cccc(N)c2)cc1
InChIInChI=1S/C14H15NO/c1-2-16-14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-10H,2,15H2,1H3
InChIKeyIPXLDVONSAAOGP-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-5-Methylaniline
CID 8445
4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline
CID 83119
4-Benzyloxyaniline
CID 22860
2-(o-Tolyloxy)aniline
CID 19692
3-Benzyloxyaniline
CID 92892
Benzenamine, 4-(3-methylphenoxy)-
CID 151352
4-(2-Phenylethoxy)aniline
CID 3026856
2-Benzyloxyaniline
CID 240548
4-(p-Tolyloxy)aniline
CID 94519
4-Amino-4'-methoxystilbene
CID 5376491
4-Amino-4'-methoxybiphenyl
CID 2759564
4-(4-Tert-butylphenoxy)aniline
CID 82498

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)aniline?
The IUPAC name of 3-(4-ethoxyphenyl)aniline (CID 28911173) is 3-(4-ethoxyphenyl)aniline.
What is the SMILES notation for 3-(4-ethoxyphenyl)aniline?
The canonical SMILES for 3-(4-ethoxyphenyl)aniline is CCOc1ccc(-c2cccc(N)c2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)aniline?
The InChIKey is IPXLDVONSAAOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-16-14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-10H,2,15H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)aniline?
3-(4-ethoxyphenyl)aniline has a molecular weight of 213.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)aniline is sourced from PubChem (CID 28911173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).