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

C16H25NO3 — CID 62444128

IUPACN-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine
SMILESCNCc1ccccc1OCCOCC1CCCCO1
InChIInChI=1S/C16H25NO3/c1-17-12-14-6-2-3-8-16(14)20-11-10-18-13-15-7-4-5-9-19-15/h2-3,6,8,15,17H,4-5,7,9-13H2,1H3
InChIKeyLJOXGHWOEXYYEK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.37
Rot. Bonds8

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

N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine (PubChem CID 62444128) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine
PubChem CID62444128
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine
SMILESCNCc1ccccc1OCCOCC1CCCCO1
InChIInChI=1S/C16H25NO3/c1-17-12-14-6-2-3-8-16(14)20-11-10-18-13-15-7-4-5-9-19-15/h2-3,6,8,15,17H,4-5,7,9-13H2,1H3
InChIKeyLJOXGHWOEXYYEK-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.37
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-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 46736214
1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608637
2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 54805225
2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 61268338
N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine
CID 62440897
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111216136
N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine
CID 106777267
2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 54807643
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine (CID 62444128) is N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine is CNCc1ccccc1OCCOCC1CCCCO1.
What is the InChIKey of N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine?
The InChIKey is LJOXGHWOEXYYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17-12-14-6-2-3-8-16(14)20-11-10-18-13-15-7-4-5-9-19-15/h2-3,6,8,15,17H,4-5,7,9-13H2,1H3.
What are the key properties of N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine?
N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine has a molecular weight of 279.38 g/mol, XLogP of 2.37, 8 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-2-ylmethoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 62444128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).