6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine

C16H21N3O2 — CID 71627411

IUPAC6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(COc2cccc(OCCCN)c2)c1
InChIInChI=1S/C16H21N3O2/c1-12-8-13(19-16(18)9-12)11-21-15-5-2-4-14(10-15)20-7-3-6-17/h2,4-5,8-10H,3,6-7,11,17H2,1H3,(H2,18,19)
InChIKeyUSONDHXIUNXLQT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.28
Rot. Bonds7

About 6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine

6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine (PubChem CID 71627411) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine
PubChem CID71627411
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(COc2cccc(OCCCN)c2)c1
InChIInChI=1S/C16H21N3O2/c1-12-8-13(19-16(18)9-12)11-21-15-5-2-4-14(10-15)20-7-3-6-17/h2,4-5,8-10H,3,6-7,11,17H2,1H3,(H2,18,19)
InChIKeyUSONDHXIUNXLQT-UHFFFAOYSA-N
XLogP2.28
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-{[(3s,4s)-4-{2-[(2-Methoxybenzyl)amino]ethoxy}pyrrolidin-3-Yl]methyl}-4-Methylpyridin-2-Amine
CID 56835762
4-Methyl-6-{[3-(Piperidin-4-Ylmethoxy)phenoxy]methyl}pyridin-2-Amine
CID 71627412
6-{[3-({[2-(3-Fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-Methylpyridin-2-Amine
CID 71627413
6-[4-(2-Dimethylamino-ethoxy)-5-ethyl-2-methoxy-phenyl]-pyridin-2-ylamine
CID 9818336
6-(((3S,4S)/(3R,4R)-4-(2-(2-(3-Fluorophenoxy)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
CID 46880968
4-Methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine
CID 71769533
6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine
CID 46846307
6({[(2R,4S)4{[(6amino4methylpyridin2 yl)oxy]methyl}pyrrolidin2yl]methoxy}methyl)4 methylpyridin2amine ((2R,4S)-6)
CID 86767079
4-[4-(3-Methoxyphenoxy)-6-methyl-2-pyridinyl]morpholine
CID 71457224
2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile
CID 892596
2-N-(2-phenoxyethyl)-6-N-[(1S)-1-phenylethyl]pyridine-2,6-diamine
CID 44393057
6-[[(3R,4R)-4-[3-(4-fluorophenoxy)phenoxy]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 49864879

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine (CID 71627411) is 6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(COc2cccc(OCCCN)c2)c1.
What is the InChIKey of 6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine?
The InChIKey is USONDHXIUNXLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-8-13(19-16(18)9-12)11-21-15-5-2-4-14(10-15)20-7-3-6-17/h2,4-5,8-10H,3,6-7,11,17H2,1H3,(H2,18,19).
What are the key properties of 6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine?
6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine has a molecular weight of 287.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(3-aminopropoxy)phenoxy]methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 71627411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).