N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine

C15H23NO3 — CID 62440897

IUPACN-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine
SMILESCNCc1ccccc1OCCOC1CCOCC1
InChIInChI=1S/C15H23NO3/c1-16-12-13-4-2-3-5-15(13)19-11-10-18-14-6-8-17-9-7-14/h2-5,14,16H,6-12H2,1H3
InChIKeyCMOOHBMXVCEBMU-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.98
Rot. Bonds7

About N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine

N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine (PubChem CID 62440897) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine
PubChem CID62440897
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine
SMILESCNCc1ccccc1OCCOC1CCOCC1
InChIInChI=1S/C15H23NO3/c1-16-12-13-4-2-3-5-15(13)19-11-10-18-14-6-8-17-9-7-14/h2-5,14,16H,6-12H2,1H3
InChIKeyCMOOHBMXVCEBMU-UHFFFAOYSA-N
XLogP1.98
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]oxolan-3-amine
CID 82754077
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine
CID 62444426
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine
CID 62444230
1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62450311
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 62444128
N-(cyclopropylmethyl)-N-methyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 55074002
N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
1-[2-[2-(oxolan-3-yloxy)ethoxy]phenyl]ethanone
CID 63557252
N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79114279
N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine
CID 83833008
1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine
CID 62443049

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine (CID 62440897) is N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine is CNCc1ccccc1OCCOC1CCOCC1.
What is the InChIKey of N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine?
The InChIKey is CMOOHBMXVCEBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16-12-13-4-2-3-5-15(13)19-11-10-18-14-6-8-17-9-7-14/h2-5,14,16H,6-12H2,1H3.
What are the key properties of N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine?
N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine has a molecular weight of 265.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 62440897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).