N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

C17H27NO2 — CID 79367996

IUPACN-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C2OCCC2CNCC(C)C)cc1C
InChIInChI=1S/C17H27NO2/c1-12(2)10-18-11-15-7-8-20-17(15)14-5-6-16(19-4)13(3)9-14/h5-6,9,12,15,17-18H,7-8,10-11H2,1-4H3
InChIKeyBSIDEILHTHERDY-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.33
Rot. Bonds6

About N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79367996) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID79367996
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C2OCCC2CNCC(C)C)cc1C
InChIInChI=1S/C17H27NO2/c1-12(2)10-18-11-15-7-8-20-17(15)14-5-6-16(19-4)13(3)9-14/h5-6,9,12,15,17-18H,7-8,10-11H2,1-4H3
InChIKeyBSIDEILHTHERDY-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-bromo-4-chlorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 83241634
[2-(4-methoxy-3-methylphenyl)oxan-3-yl]methanol
CID 79373941
N-[[2-[3-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79371187
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023599
N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364574
N-[[2-(4-chloro-3-fluorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79365307
N-[[2-(5-ethylfuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364973
N-[[2-(4,5-dibromofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364794
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 65101606
N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 79365705
N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027732

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 79367996) is N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is COc1ccc(C2OCCC2CNCC(C)C)cc1C.
What is the InChIKey of N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BSIDEILHTHERDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)10-18-11-15-7-8-20-17(15)14-5-6-16(19-4)13(3)9-14/h5-6,9,12,15,17-18H,7-8,10-11H2,1-4H3.
What are the key properties of N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxy-3-methylphenyl)oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79367996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).