1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine

C14H21NO2 — CID 116521506

IUPAC1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine
SMILESCC1(C)CCC(CNOCc2ccccc2)O1
InChIInChI=1S/C14H21NO2/c1-14(2)9-8-13(17-14)10-15-16-11-12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3
InChIKeyCEXSNCGZFKZXGE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.67
Rot. Bonds5

About 1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine

1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine (PubChem CID 116521506) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine
PubChem CID116521506
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine
SMILESCC1(C)CCC(CNOCc2ccccc2)O1
InChIInChI=1S/C14H21NO2/c1-14(2)9-8-13(17-14)10-15-16-11-12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3
InChIKeyCEXSNCGZFKZXGE-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine
CID 116521126
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine
CID 116521687
2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
CID 116521447
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
3-(5,5-dimethyloxolan-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 104889539
1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine
CID 66361170
1-(4-methylmorpholin-2-yl)-N-phenylmethoxymethanamine
CID 79172103
N-phenylmethoxy-1-piperidin-4-ylmethanamine
CID 82709378
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-phenylacetic acid
CID 116522706
1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 116521177
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline
CID 116521071
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine
CID 116521368

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine (CID 116521506) is 1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine is CC1(C)CCC(CNOCc2ccccc2)O1.
What is the InChIKey of 1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine?
The InChIKey is CEXSNCGZFKZXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2)9-8-13(17-14)10-15-16-11-12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3.
What are the key properties of 1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine?
1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 116521506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).