N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine

C15H23NO2 — CID 79368430

IUPACN-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1CCOC1c1ccc(COC)cc1
InChIInChI=1S/C15H23NO2/c1-3-16-10-14-8-9-18-15(14)13-6-4-12(5-7-13)11-17-2/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyNYBMUVQUIKPTIX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.52
Rot. Bonds6

About N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine

N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 79368430) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine
PubChem CID79368430
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1CCOC1c1ccc(COC)cc1
InChIInChI=1S/C15H23NO2/c1-3-16-10-14-8-9-18-15(14)13-6-4-12(5-7-13)11-17-2/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyNYBMUVQUIKPTIX-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 79367501
N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368719
N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368622
N-[[2-(4-cyclopropylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79978075
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79367591
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365254
N-[[2-(3-bromophenyl)oxolan-3-yl]methyl]ethanamine
CID 79368720
N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]ethanamine
CID 83241190
N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79367506
N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368429
N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine
CID 105379792
N-[[2-[4-(trifluoromethylsulfanyl)phenyl]oxan-3-yl]methyl]ethanamine
CID 79370705

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine (CID 79368430) is N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine is CCNCC1CCOC1c1ccc(COC)cc1.
What is the InChIKey of N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine?
The InChIKey is NYBMUVQUIKPTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-16-10-14-8-9-18-15(14)13-6-4-12(5-7-13)11-17-2/h4-7,14-16H,3,8-11H2,1-2H3.
What are the key properties of N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine?
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 79368430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).