N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine

C16H25NO2 — CID 102606147

IUPACN-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine
SMILESCNC(COC1COC1)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)8-13-4-6-14(7-5-13)16(17-3)11-19-15-9-18-10-15/h4-7,12,15-17H,8-11H2,1-3H3
InChIKeyHZLSWRFCOHCSPR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.56
Rot. Bonds7

About N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine

N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine (PubChem CID 102606147) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine
PubChem CID102606147
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine
SMILESCNC(COC1COC1)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)8-13-4-6-14(7-5-13)16(17-3)11-19-15-9-18-10-15/h4-7,12,15-17H,8-11H2,1-3H3
InChIKeyHZLSWRFCOHCSPR-UHFFFAOYSA-N
XLogP2.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(oxetan-3-yloxy)-1-(4-propylphenyl)ethanamine
CID 102605871
2-cyclobutyloxy-1-(4-ethylphenyl)-N-methylethanamine
CID 62139676
1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine
CID 63558840
2-(4,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine
CID 114340831
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine
CID 102608238
2-(3,4-dimethylcyclohexyl)oxy-1-(4-ethylphenyl)-N-methylethanamine
CID 64745929
3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43480587
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide
CID 66238425
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207182
2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63466664

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine?
The IUPAC name of N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine (CID 102606147) is N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine is CNC(COC1COC1)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine?
The InChIKey is HZLSWRFCOHCSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)8-13-4-6-14(7-5-13)16(17-3)11-19-15-9-18-10-15/h4-7,12,15-17H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine?
N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine is sourced from PubChem (CID 102606147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).