N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine

C14H17N3O — CID 61031885

IUPACN-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCCOc2cccc(N)c2)n1
InChIInChI=1S/C14H17N3O/c1-11-4-2-7-14(17-11)16-8-9-18-13-6-3-5-12(15)10-13/h2-7,10H,8-9,15H2,1H3,(H,16,17)
InChIKeyDGJYAPPSTISWEB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.46
Rot. Bonds5

About N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine

N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine (PubChem CID 61031885) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine
PubChem CID61031885
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NCCOc2cccc(N)c2)n1
InChIInChI=1S/C14H17N3O/c1-11-4-2-7-14(17-11)16-8-9-18-13-6-3-5-12(15)10-13/h2-7,10H,8-9,15H2,1H3,(H,16,17)
InChIKeyDGJYAPPSTISWEB-UHFFFAOYSA-N
XLogP2.46
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-(2-pyridin-3-yloxyethyl)pyridin-2-amine
CID 75509865
N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine
CID 83064262
2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate
CID 66457557
2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 55012620
N-[2-(3-aminophenoxy)ethyl]-5-fluoropyrimidin-2-amine
CID 113432130
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80814624
6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80791546
3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62322289
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine
CID 80901049
3-[2-(1-phenylethylamino)ethoxy]aniline
CID 112509070

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine (CID 61031885) is N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine is Cc1cccc(NCCOc2cccc(N)c2)n1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine?
The InChIKey is DGJYAPPSTISWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-4-2-7-14(17-11)16-8-9-18-13-6-3-5-12(15)10-13/h2-7,10H,8-9,15H2,1H3,(H,16,17).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine?
N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 61031885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).