1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine

C19H26N2O2 — CID 67689826

IUPAC1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine
SMILESCCCCCC(N)c1ccc(OCc2ccccn2)c(OC)c1
InChIInChI=1S/C19H26N2O2/c1-3-4-5-9-17(20)15-10-11-18(19(13-15)22-2)23-14-16-8-6-7-12-21-16/h6-8,10-13,17H,3-5,9,14,20H2,1-2H3
InChIKeyBSXDEPIAYRRQJU-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.25
Rot. Bonds9

About 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine

1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine (PubChem CID 67689826) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine.

Molecular Properties

Compound Name1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine
PubChem CID67689826
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine
SMILESCCCCCC(N)c1ccc(OCc2ccccn2)c(OC)c1
InChIInChI=1S/C19H26N2O2/c1-3-4-5-9-17(20)15-10-11-18(19(13-15)22-2)23-14-16-8-6-7-12-21-16/h6-8,10-13,17H,3-5,9,14,20H2,1-2H3
InChIKeyBSXDEPIAYRRQJU-UHFFFAOYSA-N
XLogP4.25
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine 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

(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171214526
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43279425
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(1S)-1-(4-ethoxy-3-methoxyphenyl)pentane-1,5-diamine
CID 171231818
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine?
The IUPAC name of 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine (CID 67689826) is 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine.
What is the SMILES notation for 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine?
The canonical SMILES for 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine is CCCCCC(N)c1ccc(OCc2ccccn2)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine?
The InChIKey is BSXDEPIAYRRQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-4-5-9-17(20)15-10-11-18(19(13-15)22-2)23-14-16-8-6-7-12-21-16/h6-8,10-13,17H,3-5,9,14,20H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine?
1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine has a molecular weight of 314.43 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]hexan-1-amine is sourced from PubChem (CID 67689826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).