2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine

C18H23NO4 — CID 20993640

IUPAC2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
SMILESCOc1ccccc1OCCOc1c(CCN)cccc1OC
InChIInChI=1S/C18H23NO4/c1-20-15-7-3-4-8-16(15)22-12-13-23-18-14(10-11-19)6-5-9-17(18)21-2/h3-9H,10-13,19H2,1-2H3
InChIKeyXEIPNBPNFLAHLT-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.66
Rot. Bonds9

About 2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine

2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 20993640) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
PubChem CID20993640
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
SMILESCOc1ccccc1OCCOc1c(CCN)cccc1OC
InChIInChI=1S/C18H23NO4/c1-20-15-7-3-4-8-16(15)22-12-13-23-18-14(10-11-19)6-5-9-17(18)21-2/h3-9H,10-13,19H2,1-2H3
InChIKeyXEIPNBPNFLAHLT-UHFFFAOYSA-N
XLogP2.66
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22680824
2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20986801
2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22680814
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 103013018
3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 62627529
2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 69173807
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine (CID 20993640) is 2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine is COc1ccccc1OCCOc1c(CCN)cccc1OC.
What is the InChIKey of 2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is XEIPNBPNFLAHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-20-15-7-3-4-8-16(15)22-12-13-23-18-14(10-11-19)6-5-9-17(18)21-2/h3-9H,10-13,19H2,1-2H3.
What are the key properties of 2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine?
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 317.39 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 20993640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).