N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine

C18H23NO2 — CID 112798597

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
SMILESCCOc1ccc(OCCNC(C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-20-17-9-11-18(12-10-17)21-14-13-19-15(2)16-7-5-4-6-8-16/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyLKFDAYKDUJIOBU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.81
Rot. Bonds8

About N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine

N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine (PubChem CID 112798597) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
PubChem CID112798597
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
SMILESCCOc1ccc(OCCNC(C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-20-17-9-11-18(12-10-17)21-14-13-19-15(2)16-7-5-4-6-8-16/h4-12,15,19H,3,13-14H2,1-2H3
InChIKeyLKFDAYKDUJIOBU-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine 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

3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
3-[2-(1-phenylethylamino)ethoxy]aniline
CID 112509070
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
N-(4-heptoxyphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine
CID 54807195
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine (CID 112798597) is N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine is CCOc1ccc(OCCNC(C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine?
The InChIKey is LKFDAYKDUJIOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-20-17-9-11-18(12-10-17)21-14-13-19-15(2)16-7-5-4-6-8-16/h4-12,15,19H,3,13-14H2,1-2H3.
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine?
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine is sourced from PubChem (CID 112798597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).