3-[2-(1-phenylethylamino)ethoxy]aniline

C16H20N2O — CID 112509070

IUPAC3-[2-(1-phenylethylamino)ethoxy]aniline
SMILESCC(NCCOc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-13(14-6-3-2-4-7-14)18-10-11-19-16-9-5-8-15(17)12-16/h2-9,12-13,18H,10-11,17H2,1H3
InChIKeySANVHKHXCOZERX-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.00
Rot. Bonds6

About 3-[2-(1-phenylethylamino)ethoxy]aniline

3-[2-(1-phenylethylamino)ethoxy]aniline (PubChem CID 112509070) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[2-(1-phenylethylamino)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(1-phenylethylamino)ethoxy]aniline
PubChem CID112509070
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[2-(1-phenylethylamino)ethoxy]aniline
SMILESCC(NCCOc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-13(14-6-3-2-4-7-14)18-10-11-19-16-9-5-8-15(17)12-16/h2-9,12-13,18H,10-11,17H2,1H3
InChIKeySANVHKHXCOZERX-UHFFFAOYSA-N
XLogP3.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(1-phenylethylamino)ethoxy]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

(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 2184702
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
CID 2183529
N-[1-(3,4-dimethylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 63476953

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-phenylethylamino)ethoxy]aniline?
The IUPAC name of 3-[2-(1-phenylethylamino)ethoxy]aniline (CID 112509070) is 3-[2-(1-phenylethylamino)ethoxy]aniline.
What is the SMILES notation for 3-[2-(1-phenylethylamino)ethoxy]aniline?
The canonical SMILES for 3-[2-(1-phenylethylamino)ethoxy]aniline is CC(NCCOc1cccc(N)c1)c1ccccc1.
What is the InChIKey of 3-[2-(1-phenylethylamino)ethoxy]aniline?
The InChIKey is SANVHKHXCOZERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(14-6-3-2-4-7-14)18-10-11-19-16-9-5-8-15(17)12-16/h2-9,12-13,18H,10-11,17H2,1H3.
What are the key properties of 3-[2-(1-phenylethylamino)ethoxy]aniline?
3-[2-(1-phenylethylamino)ethoxy]aniline has a molecular weight of 256.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-phenylethylamino)ethoxy]aniline is sourced from PubChem (CID 112509070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).