N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine

C17H27NO2 — CID 141125876

IUPACN-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine
SMILESCCN(C)CCCOc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-18(2)11-4-12-20-17-7-5-15(6-8-17)16-9-13-19-14-10-16/h5-8,16H,3-4,9-14H2,1-2H3
InChIKeyIGASRDIGKWVTFD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.30
Rot. Bonds7

About N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine

N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine (PubChem CID 141125876) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine
PubChem CID141125876
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine
SMILESCCN(C)CCCOc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-18(2)11-4-12-20-17-7-5-15(6-8-17)16-9-13-19-14-10-16/h5-8,16H,3-4,9-14H2,1-2H3
InChIKeyIGASRDIGKWVTFD-UHFFFAOYSA-N
XLogP3.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-octoxy-3-[4-(oxan-4-yl)phenoxy]propan-2-ol
CID 20648308
4-[3-[methyl(oxan-4-yl)amino]propoxy]benzonitrile
CID 43611129
4-(4-heptoxyphenyl)cyclohexan-1-one
CID 71477093
1-cyclohexyl-4-heptoxybenzene
CID 56628106
N,N-dimethyl-2-(4-piperidin-4-ylphenoxy)ethanamine;hydrochloride
CID 164705135
ethane;4-(4-ethylphenyl)oxane
CID 145044637
5-[3-[ethyl(methyl)amino]propoxy]pyridin-2-amine
CID 167126121
4-(4-methylphenyl)oxane
CID 46222621
1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
CID 102047471
4-(4-octoxyphenyl)piperidine
CID 90176821
4-(4-butoxyphenyl)-1-propylpiperidine
CID 57387305
N-[2-(1,4-dioxan-2-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine
CID 138807106

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine?
The IUPAC name of N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine (CID 141125876) is N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine?
The canonical SMILES for N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine is CCN(C)CCCOc1ccc(C2CCOCC2)cc1.
What is the InChIKey of N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine?
The InChIKey is IGASRDIGKWVTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-18(2)11-4-12-20-17-7-5-15(6-8-17)16-9-13-19-14-10-16/h5-8,16H,3-4,9-14H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine?
N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine is sourced from PubChem (CID 141125876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).