6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol

C16H27NO3 — CID 103924096

IUPAC6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol
SMILESCCOc1cc(CNCCCCCCO)ccc1OC
InChIInChI=1S/C16H27NO3/c1-3-20-16-12-14(8-9-15(16)19-2)13-17-10-6-4-5-7-11-18/h8-9,12,17-18H,3-7,10-11,13H2,1-2H3
InChIKeyNAMJWYSCLFDQCT-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.74
Rot. Bonds11

About 6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol

6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol (PubChem CID 103924096) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol
PubChem CID103924096
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol
SMILESCCOc1cc(CNCCCCCCO)ccc1OC
InChIInChI=1S/C16H27NO3/c1-3-20-16-12-14(8-9-15(16)19-2)13-17-10-6-4-5-7-11-18/h8-9,12,17-18H,3-7,10-11,13H2,1-2H3
InChIKeyNAMJWYSCLFDQCT-UHFFFAOYSA-N
XLogP2.74
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-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

5-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-1-ol
CID 17206733
5-[(3,4-diethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211681
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63056902
5-[(3-bromo-4-methoxyphenyl)methylamino]pentan-1-ol
CID 29223834
4-[(4-hydroxybutylamino)methyl]-2-methoxyphenol
CID 106840868
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
ethyl 4-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoate
CID 64580647
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol (CID 103924096) is 6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol is CCOc1cc(CNCCCCCCO)ccc1OC.
What is the InChIKey of 6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol?
The InChIKey is NAMJWYSCLFDQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-20-16-12-14(8-9-15(16)19-2)13-17-10-6-4-5-7-11-18/h8-9,12,17-18H,3-7,10-11,13H2,1-2H3.
What are the key properties of 6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol?
6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.74, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol is sourced from PubChem (CID 103924096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).