(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine

C17H21NO3 — CID 79009249

IUPAC(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(OCCOc2ccc([C@@H](C)N)cc2)cc1
InChIInChI=1S/C17H21NO3/c1-13(18)14-3-5-16(6-4-14)20-11-12-21-17-9-7-15(19-2)8-10-17/h3-10,13H,11-12,18H2,1-2H3/t13-/m1/s1
InChIKeyYWCZQTVDRBVNAI-CYBMUJFWSA-N
MW287.36 g/mol
LogP3.17
Rot. Bonds7

About (1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine

(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 79009249) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
PubChem CID79009249
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(OCCOc2ccc([C@@H](C)N)cc2)cc1
InChIInChI=1S/C17H21NO3/c1-13(18)14-3-5-16(6-4-14)20-11-12-21-17-9-7-15(19-2)8-10-17/h3-10,13H,11-12,18H2,1-2H3/t13-/m1/s1
InChIKeyYWCZQTVDRBVNAI-CYBMUJFWSA-N
XLogP3.17
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine 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

1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
CID 80699771
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
CID 78960972
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
(1R)-1-[4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103402999
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
(1S)-1-(4-pent-3-ynoxyphenyl)ethanamine
CID 104805177
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
1-[4-[2-(4-methoxyphenyl)ethylsulfanyl]phenyl]ethanamine
CID 65445004
1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
CID 101255138
(1S)-1-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 55190084

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine (CID 79009249) is (1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine is COc1ccc(OCCOc2ccc([C@@H](C)N)cc2)cc1.
What is the InChIKey of (1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is YWCZQTVDRBVNAI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13(18)14-3-5-16(6-4-14)20-11-12-21-17-9-7-15(19-2)8-10-17/h3-10,13H,11-12,18H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine?
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 79009249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).