[3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine

C13H22N2O2 — CID 174679854

IUPAC[3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine
SMILESCCNC.CNC(C)c1cccc(OC=O)c1
InChIInChI=1S/C10H13NO2.C3H9N/c1-8(11-2)9-4-3-5-10(6-9)13-7-12;1-3-4-2/h3-8,11H,1-2H3;4H,3H2,1-2H3
InChIKeyMJPIBFBEPMOQTP-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.73
Rot. Bonds5

About [3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine

[3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine (PubChem CID 174679854) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine.

Molecular Properties

Compound Name[3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine
PubChem CID174679854
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine
SMILESCCNC.CNC(C)c1cccc(OC=O)c1
InChIInChI=1S/C10H13NO2.C3H9N/c1-8(11-2)9-4-3-5-10(6-9)13-7-12;1-3-4-2/h3-8,11H,1-2H3;4H,3H2,1-2H3
InChIKeyMJPIBFBEPMOQTP-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
N-methyl-1-[3-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 79167385
N-methyl-1-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 79168540
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 60883271
(3-formyloxyphenyl) formate
CID 18792339
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
N-methyl-1-[3-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 79170154
1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-methylethanamine
CID 106436816

Frequently Asked Questions

What is the IUPAC name of [3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine?
The IUPAC name of [3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine (CID 174679854) is [3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine.
What is the SMILES notation for [3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine?
The canonical SMILES for [3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine is CCNC.CNC(C)c1cccc(OC=O)c1.
What is the InChIKey of [3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine?
The InChIKey is MJPIBFBEPMOQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C3H9N/c1-8(11-2)9-4-3-5-10(6-9)13-7-12;1-3-4-2/h3-8,11H,1-2H3;4H,3H2,1-2H3.
What are the key properties of [3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine?
[3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(methylamino)ethyl]phenyl] formate;N-methylethanamine is sourced from PubChem (CID 174679854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).