5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol

C15H25NO3 — CID 62228216

IUPAC5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
SMILESCNC(C)c1ccc(OCCCCCO)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-12(16-2)13-7-8-14(15(11-13)18-3)19-10-6-4-5-9-17/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3
InChIKeyMZFSWGNVJHJUPU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.52
Rot. Bonds9

About 5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol

5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol (PubChem CID 62228216) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
PubChem CID62228216
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
SMILESCNC(C)c1ccc(OCCCCCO)c(OC)c1
InChIInChI=1S/C15H25NO3/c1-12(16-2)13-7-8-14(15(11-13)18-3)19-10-6-4-5-9-17/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3
InChIKeyMZFSWGNVJHJUPU-UHFFFAOYSA-N
XLogP2.52
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702400
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
5-[2-bromo-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 114216751
6-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702855
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992
1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
CID 60881368
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine
CID 61493746
methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
CID 60882110
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114491704
1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43279425

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol?
The IUPAC name of 5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol (CID 62228216) is 5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol?
The canonical SMILES for 5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol is CNC(C)c1ccc(OCCCCCO)c(OC)c1.
What is the InChIKey of 5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol?
The InChIKey is MZFSWGNVJHJUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(16-2)13-7-8-14(15(11-13)18-3)19-10-6-4-5-9-17/h7-8,11-12,16-17H,4-6,9-10H2,1-3H3.
What are the key properties of 5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol?
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol is sourced from PubChem (CID 62228216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).