[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine

C17H21NO3 — CID 43254310

IUPAC[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine
SMILESCOc1ccc(COCCOc2cccc(CN)c2)cc1
InChIInChI=1S/C17H21NO3/c1-19-16-7-5-14(6-8-16)13-20-9-10-21-17-4-2-3-15(11-17)12-18/h2-8,11H,9-10,12-13,18H2,1H3
InChIKeyJRAHSYZMGVXSKA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.75
Rot. Bonds8

About [3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine

[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine (PubChem CID 43254310) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine
PubChem CID43254310
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine
SMILESCOc1ccc(COCCOc2cccc(CN)c2)cc1
InChIInChI=1S/C17H21NO3/c1-19-16-7-5-14(6-8-16)13-20-9-10-21-17-4-2-3-15(11-17)12-18/h2-8,11H,9-10,12-13,18H2,1H3
InChIKeyJRAHSYZMGVXSKA-UHFFFAOYSA-N
XLogP2.75
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.75
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

[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline
CID 43174442
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]phenyl]methanamine
CID 103401471
[3-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 43254178
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline
CID 43366089
1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine
CID 79679962

Frequently Asked Questions

What is the IUPAC name of [3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine (CID 43254310) is [3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine is COc1ccc(COCCOc2cccc(CN)c2)cc1.
What is the InChIKey of [3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine?
The InChIKey is JRAHSYZMGVXSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-16-7-5-14(6-8-16)13-20-9-10-21-17-4-2-3-15(11-17)12-18/h2-8,11H,9-10,12-13,18H2,1H3.
What are the key properties of [3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine?
[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine is sourced from PubChem (CID 43254310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).