N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine

C17H27NO3 — CID 63557933

IUPACN-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCOc1cccc(CNCC(C)C)c1OC1CCOC1
InChIInChI=1S/C17H27NO3/c1-4-20-16-7-5-6-14(11-18-10-13(2)3)17(16)21-15-8-9-19-12-15/h5-7,13,15,18H,4,8-12H2,1-3H3
InChIKeyMQDWBSIJHCZYLJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds8

About N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63557933) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63557933
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCOc1cccc(CNCC(C)C)c1OC1CCOC1
InChIInChI=1S/C17H27NO3/c1-4-20-16-7-5-6-14(11-18-10-13(2)3)17(16)21-15-8-9-19-12-15/h5-7,13,15,18H,4,8-12H2,1-3H3
InChIKeyMQDWBSIJHCZYLJ-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-(oxan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107134528
N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057940
N-[[3-chloro-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 115954788
2-[2-ethoxy-6-[(2-methylpropylamino)methyl]phenoxy]ethanol
CID 63057479
N-[[3-ethoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61311100
N-[[2-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057630
2-methyl-N-[[6-(oxolan-3-yloxy)-2-pyridinyl]methyl]propan-1-amine
CID 63557509
1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64750217
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114471621
N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 66046626
N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine
CID 80713225
2-methyl-N-[[5-nitro-2-(oxolan-3-yloxy)phenyl]methyl]propan-1-amine
CID 63557350

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine (CID 63557933) is N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine is CCOc1cccc(CNCC(C)C)c1OC1CCOC1.
What is the InChIKey of N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is MQDWBSIJHCZYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-20-16-7-5-6-14(11-18-10-13(2)3)17(16)21-15-8-9-19-12-15/h5-7,13,15,18H,4,8-12H2,1-3H3.
What are the key properties of N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-2-(oxolan-3-yloxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63557933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).