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

C16H27NO4 — CID 103177499

IUPACN-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(OC)ccc1OCCOCCCOC
InChIInChI=1S/C16H27NO4/c1-4-17-13-14-12-15(19-3)6-7-16(14)21-11-10-20-9-5-8-18-2/h6-7,12,17H,4-5,8-11,13H2,1-3H3
InChIKeyKLUJMIVCKFBUKS-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.24
Rot. Bonds12

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

N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine (PubChem CID 103177499) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
PubChem CID103177499
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cc(OC)ccc1OCCOCCCOC
InChIInChI=1S/C16H27NO4/c1-4-17-13-14-12-15(19-3)6-7-16(14)21-11-10-20-9-5-8-18-2/h6-7,12,17H,4-5,8-11,13H2,1-3H3
InChIKeyKLUJMIVCKFBUKS-UHFFFAOYSA-N
XLogP2.24
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.24
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

N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
N-[[5-methoxy-2-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 61483691
N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449683
N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
CID 63323068
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
N-[[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 103177793
N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61493816
N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide
CID 62325462
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine (CID 103177499) is N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine is CCNCc1cc(OC)ccc1OCCOCCCOC.
What is the InChIKey of N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is KLUJMIVCKFBUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-4-17-13-14-12-15(19-3)6-7-16(14)21-11-10-20-9-5-8-18-2/h6-7,12,17H,4-5,8-11,13H2,1-3H3.
What are the key properties of N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine?
N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 297.39 g/mol, XLogP of 2.24, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 103177499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).