3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine

C15H18N2O2 — CID 104662528

IUPAC3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine
SMILESCOCCOc1ccccc1Cc1cccnc1N
InChIInChI=1S/C15H18N2O2/c1-18-9-10-19-14-7-3-2-5-12(14)11-13-6-4-8-17-15(13)16/h2-8H,9-11H2,1H3,(H2,16,17)
InChIKeyIGIULQUEPQFFQR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.28
Rot. Bonds6

About 3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine

3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine (PubChem CID 104662528) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine
PubChem CID104662528
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine
SMILESCOCCOc1ccccc1Cc1cccnc1N
InChIInChI=1S/C15H18N2O2/c1-18-9-10-19-14-7-3-2-5-12(14)11-13-6-4-8-17-15(13)16/h2-8H,9-11H2,1H3,(H2,16,17)
InChIKeyIGIULQUEPQFFQR-UHFFFAOYSA-N
XLogP2.28
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.28
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

3-[(2,6-dimethoxyphenyl)methyl]pyridin-2-amine
CID 116811036
3-(5-methoxypentyl)pyridin-2-amine
CID 104649842
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[2-(2-methoxyethoxy)phenyl]methylhydrazine
CID 105220831
3-(3-methoxypropoxymethyl)pyridin-2-amine
CID 62465864
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
3-(2-ethoxyethoxy)pyridin-2-amine
CID 43457018
3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 175807112
2-[(2-amino-3-pyridinyl)methoxy]phenol
CID 105469613
[2-[2-(2-methoxyethoxy)phenyl]phenyl]methanamine
CID 104660838
3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine
CID 104540211
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine (CID 104662528) is 3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine is COCCOc1ccccc1Cc1cccnc1N.
What is the InChIKey of 3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine?
The InChIKey is IGIULQUEPQFFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-9-10-19-14-7-3-2-5-12(14)11-13-6-4-8-17-15(13)16/h2-8H,9-11H2,1H3,(H2,16,17).
What are the key properties of 3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine?
3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyethoxy)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 104662528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).