N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine

C17H27NO3 — CID 63056604

IUPACN-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CNC(C)(C)C)c1OCC1CCOC1
InChIInChI=1S/C17H27NO3/c1-17(2,3)18-10-14-6-5-7-15(19-4)16(14)21-12-13-8-9-20-11-13/h5-7,13,18H,8-12H2,1-4H3
InChIKeyPQFYORNRVZICFT-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds6

About N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63056604) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63056604
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CNC(C)(C)C)c1OCC1CCOC1
InChIInChI=1S/C17H27NO3/c1-17(2,3)18-10-14-6-5-7-15(19-4)16(14)21-12-13-8-9-20-11-13/h5-7,13,18H,8-12H2,1-4H3
InChIKeyPQFYORNRVZICFT-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057940
N-[[3-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62386016
N-[[3-ethoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61311100
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931890
1-[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 61390168
N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 43560143
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine
CID 62350684
N-[[3,5-dibromo-4-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107743716
N-[[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610674
N-[[3-bromo-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 61390366
N-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63057600
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63056604) is N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine is COc1cccc(CNC(C)(C)C)c1OCC1CCOC1.
What is the InChIKey of N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PQFYORNRVZICFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-17(2,3)18-10-14-6-5-7-15(19-4)16(14)21-12-13-8-9-20-11-13/h5-7,13,18H,8-12H2,1-4H3.
What are the key properties of N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63056604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).