N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine

C16H25NO3 — CID 62458867

IUPACN-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(COc2ccccc2OC)O1
InChIInChI=1S/C16H25NO3/c1-3-10-17-11-13-8-9-14(20-13)12-19-16-7-5-4-6-15(16)18-2/h4-7,13-14,17H,3,8-12H2,1-2H3
InChIKeyNJTNUHQIIXADSD-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.62
Rot. Bonds8

About N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine

N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62458867) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID62458867
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(COc2ccccc2OC)O1
InChIInChI=1S/C16H25NO3/c1-3-10-17-11-13-8-9-14(20-13)12-19-16-7-5-4-6-15(16)18-2/h4-7,13-14,17H,3,8-12H2,1-2H3
InChIKeyNJTNUHQIIXADSD-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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-[[5-[(2,4-dichlorophenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62459378
N-[[5-[(2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methyl]ethanamine
CID 62459432
N-[[5-[[2-(trifluoromethyl)phenoxy]methyl]oxolan-2-yl]methyl]ethanamine
CID 62452190
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 103132818
N-[[5-(1,3-benzodioxol-5-yloxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62449795
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455
N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62450434
N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62486972
N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453326
N-[[5-(2-butoxyethoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62457736
N-[[5-[2-(2-methylpropoxy)ethoxymethyl]oxolan-2-yl]methyl]propan-1-amine
CID 106450120
3-bromo-5-[(2-methoxyphenoxy)methyl]-4,5-dihydro-1,2-oxazole
CID 102548676

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine (CID 62458867) is N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(COc2ccccc2OC)O1.
What is the InChIKey of N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is NJTNUHQIIXADSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-10-17-11-13-8-9-14(20-13)12-19-16-7-5-4-6-15(16)18-2/h4-7,13-14,17H,3,8-12H2,1-2H3.
What are the key properties of N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methoxyphenoxy)methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62458867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).