N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine

C14H23NO3 — CID 54935590

IUPACN-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(OC)ccc1OCCCOC
InChIInChI=1S/C14H23NO3/c1-4-15-11-12-10-13(17-3)6-7-14(12)18-9-5-8-16-2/h6-7,10,15H,4-5,8-9,11H2,1-3H3
InChIKeyOBQCDPZEJPWGGY-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds9

About N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine

N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine (PubChem CID 54935590) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
PubChem CID54935590
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(OC)ccc1OCCCOC
InChIInChI=1S/C14H23NO3/c1-4-15-11-12-10-13(17-3)6-7-14(12)18-9-5-8-16-2/h6-7,10,15H,4-5,8-9,11H2,1-3H3
InChIKeyOBQCDPZEJPWGGY-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
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

N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177499
N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61493816
N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449683
N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide
CID 62325462
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[[5-methoxy-2-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 61483691
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile
CID 60878332
3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63061286
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine
CID 81107388
5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
CID 63063532

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine (CID 54935590) is N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine is CCNCc1cc(OC)ccc1OCCCOC.
What is the InChIKey of N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine?
The InChIKey is OBQCDPZEJPWGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-15-11-12-10-13(17-3)6-7-14(12)18-9-5-8-16-2/h6-7,10,15H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine?
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 54935590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).