[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine

C17H21NO3 — CID 104659745

IUPAC[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine
SMILESCOCCOc1ccccc1C(N)c1ccc(OC)cc1
InChIInChI=1S/C17H21NO3/c1-19-11-12-21-16-6-4-3-5-15(16)17(18)13-7-9-14(20-2)10-8-13/h3-10,17H,11-12,18H2,1-2H3
InChIKeyHTFBPKQSAXOHTF-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.77
Rot. Bonds7

About [2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine

[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine (PubChem CID 104659745) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine
PubChem CID104659745
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine
SMILESCOCCOc1ccccc1C(N)c1ccc(OC)cc1
InChIInChI=1S/C17H21NO3/c1-19-11-12-21-16-6-4-3-5-15(16)17(18)13-7-9-14(20-2)10-8-13/h3-10,17H,11-12,18H2,1-2H3
InChIKeyHTFBPKQSAXOHTF-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035320
[2-(2-methoxyethoxy)phenyl]-(6-methoxypyridazin-3-yl)methanamine
CID 103374065
(4-methoxyphenyl)-(2-methylphenyl)methanamine
CID 24688459
1-[2-(2-methoxyethoxy)phenyl]-3-methylbutan-1-amine
CID 113438261
1-[2-(2-methoxyethoxy)phenyl]-2,3-dimethylbutan-1-amine
CID 105035367
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 103444018
(2-bromo-3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035368
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
[4-(aminomethyl)phenyl]-(2-methoxyphenyl)methanamine
CID 116937090
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine?
The IUPAC name of [2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine (CID 104659745) is [2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine.
What is the SMILES notation for [2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine?
The canonical SMILES for [2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine is COCCOc1ccccc1C(N)c1ccc(OC)cc1.
What is the InChIKey of [2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine?
The InChIKey is HTFBPKQSAXOHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-11-12-21-16-6-4-3-5-15(16)17(18)13-7-9-14(20-2)10-8-13/h3-10,17H,11-12,18H2,1-2H3.
What are the key properties of [2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine?
[2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine has a molecular weight of 287.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxy)phenyl]-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 104659745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).