1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine

C14H25NO3 — CID 23224540

IUPAC1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine
SMILESCCOC(C)OC(C)O.CNCc1ccccc1
InChIInChI=1S/C8H11N.C6H14O3/c1-9-7-8-5-3-2-4-6-8;1-4-8-6(3)9-5(2)7/h2-6,9H,7H2,1H3;5-7H,4H2,1-3H3
InChIKeyAPNZPTHNHFFDCX-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds6

About 1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine

1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine (PubChem CID 23224540) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine
PubChem CID23224540
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine
SMILESCCOC(C)OC(C)O.CNCc1ccccc1
InChIInChI=1S/C8H11N.C6H14O3/c1-9-7-8-5-3-2-4-6-8;1-4-8-6(3)9-5(2)7/h2-6,9H,7H2,1H3;5-7H,4H2,1-3H3
InChIKeyAPNZPTHNHFFDCX-UHFFFAOYSA-N
XLogP2.13
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

borane;N-methyl-1-phenylmethanamine
CID 134979061
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
1,1-diethoxyethane;2-phenylethylbenzene
CID 66689331
1-ethoxyethanol;toluene
CID 19827578
bis(N-methyl-1-phenylmethanamine);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 173404118
N-methyl-1-[4-(2-phenylethyl)phenyl]methanamine
CID 21395132
2-(1-ethoxyethoxy)-1-phenylpropan-1-one
CID 13311945
1-ethoxyethanol;N-methylmethanamine
CID 18941772
1,1-diethoxyethane;2-phenylacetaldehyde;propane-1,2,3-triol
CID 87067731
1-[1-(1-ethoxyethoxy)ethoxy]ethyl benzoate
CID 175094889
1,1-diethoxy-3-methyl-4-phenylbutan-2-ol
CID 101485670
(2S,3R)-2-ethoxy-3-hydroxy-3-[4-[3-(methylaminomethyl)phenyl]phenyl]propanoic acid
CID 20803347

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine?
The IUPAC name of 1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine (CID 23224540) is 1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine is CCOC(C)OC(C)O.CNCc1ccccc1.
What is the InChIKey of 1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine?
The InChIKey is APNZPTHNHFFDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C6H14O3/c1-9-7-8-5-3-2-4-6-8;1-4-8-6(3)9-5(2)7/h2-6,9H,7H2,1H3;5-7H,4H2,1-3H3.
What are the key properties of 1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine?
1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethoxy)ethanol;N-methyl-1-phenylmethanamine is sourced from PubChem (CID 23224540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).