4-(1-phenoxyethyl)aniline

C14H15NO — CID 61262602

IUPAC4-(1-phenoxyethyl)aniline
SMILESCC(Oc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C14H15NO/c1-11(12-7-9-13(15)10-8-12)16-14-5-3-2-4-6-14/h2-11H,15H2,1H3
InChIKeyZTZJTOMPNJOWSH-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.41
Rot. Bonds3

About 4-(1-phenoxyethyl)aniline

4-(1-phenoxyethyl)aniline (PubChem CID 61262602) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(1-phenoxyethyl)aniline.

Molecular Properties

Compound Name4-(1-phenoxyethyl)aniline
PubChem CID61262602
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-(1-phenoxyethyl)aniline
SMILESCC(Oc1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C14H15NO/c1-11(12-7-9-13(15)10-8-12)16-14-5-3-2-4-6-14/h2-11H,15H2,1H3
InChIKeyZTZJTOMPNJOWSH-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1-phenoxyethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline
CID 162519931
4-[[(4-aminophenyl)-phenoxymethyl]sulfanyl-phenoxymethyl]aniline
CID 69079297
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
4-[1-(2-ethylphenoxy)ethyl]aniline
CID 61261291
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
N-[1-[4-(1-phenylethoxy)phenyl]ethyl]hydroxylamine
CID 10658809
2-methyl-4-[(1S)-1-phenylethoxy]aniline
CID 51684094
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
1-methyl-3-(1-phenylethoxy)benzene
CID 64765647
1-phenoxyethanol
CID 66611531
2-chloro-5-(1-phenylethoxy)aniline
CID 58022217
4-[1-(2-fluoro-3-methylphenoxy)ethyl]aniline
CID 107656372

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenoxyethyl)aniline?
The IUPAC name of 4-(1-phenoxyethyl)aniline (CID 61262602) is 4-(1-phenoxyethyl)aniline.
What is the SMILES notation for 4-(1-phenoxyethyl)aniline?
The canonical SMILES for 4-(1-phenoxyethyl)aniline is CC(Oc1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 4-(1-phenoxyethyl)aniline?
The InChIKey is ZTZJTOMPNJOWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11(12-7-9-13(15)10-8-12)16-14-5-3-2-4-6-14/h2-11H,15H2,1H3.
What are the key properties of 4-(1-phenoxyethyl)aniline?
4-(1-phenoxyethyl)aniline has a molecular weight of 213.28 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenoxyethyl)aniline is sourced from PubChem (CID 61262602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).