N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine

C16H20N2O — CID 55155535

IUPACN-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine
SMILESCNC(CCCOc1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2O/c1-17-15(16-10-5-6-12-18-16)11-7-13-19-14-8-3-2-4-9-14/h2-6,8-10,12,15,17H,7,11,13H2,1H3
InChIKeyAMKCYYUXSXZNMW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.20
Rot. Bonds7

About N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine

N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine (PubChem CID 55155535) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine
PubChem CID55155535
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine
SMILESCNC(CCCOc1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2O/c1-17-15(16-10-5-6-12-18-16)11-7-13-19-14-8-3-2-4-9-14/h2-6,8-10,12,15,17H,7,11,13H2,1H3
InChIKeyAMKCYYUXSXZNMW-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-methyl-1-pyridin-2-ylpropan-1-amine
CID 114997349
N-methyl-3-methylsulfanyl-1-pyridin-2-ylpropan-1-amine
CID 116831660
N'-ethyl-N-methyl-1-pyridin-2-ylethane-1,2-diamine
CID 116950392
N-ethyl-5-methyl-1-pyridin-2-ylhexan-1-amine
CID 83161018
N-methyl-6-phenoxy-3-propan-2-ylhexan-2-amine
CID 55156686
1-(3-methoxypyrazin-2-yl)-N-methyl-3-phenoxypropan-1-amine
CID 104515253
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
1-pyridin-2-yloctylhydrazine
CID 105195796
N-(1-pyridin-2-yltridecyl)benzenesulfonamide
CID 54173262
N-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine
CID 115872086

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine?
The IUPAC name of N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine (CID 55155535) is N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine.
What is the SMILES notation for N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine?
The canonical SMILES for N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine is CNC(CCCOc1ccccc1)c1ccccn1.
What is the InChIKey of N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine?
The InChIKey is AMKCYYUXSXZNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-15(16-10-5-6-12-18-16)11-7-13-19-14-8-3-2-4-9-14/h2-6,8-10,12,15,17H,7,11,13H2,1H3.
What are the key properties of N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine?
N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenoxy-1-pyridin-2-ylbutan-1-amine is sourced from PubChem (CID 55155535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).