N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine

C17H27NO3 — CID 62385101

IUPACN-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(CNC(C)C)c(OCC2CCOCC2)c1
InChIInChI=1S/C17H27NO3/c1-13(2)18-11-15-4-5-16(19-3)10-17(15)21-12-14-6-8-20-9-7-14/h4-5,10,13-14,18H,6-9,11-12H2,1-3H3
InChIKeyOXSLYRMGXLUPPA-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds7

About N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine

N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 62385101) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID62385101
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(CNC(C)C)c(OCC2CCOCC2)c1
InChIInChI=1S/C17H27NO3/c1-13(2)18-11-15-4-5-16(19-3)10-17(15)21-12-14-6-8-20-9-7-14/h4-5,10,13-14,18H,6-9,11-12H2,1-3H3
InChIKeyOXSLYRMGXLUPPA-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385912
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769004
N-[[3-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62386016
N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61312439
N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine
CID 62386201
4-[(2-bromo-4-methoxyphenoxy)methyl]oxane
CID 104704638
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
3-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]oxolane
CID 54976947
N-[[6-methyl-4-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250738
2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977200
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 61268180
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine (CID 62385101) is N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine is COc1ccc(CNC(C)C)c(OCC2CCOCC2)c1.
What is the InChIKey of N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is OXSLYRMGXLUPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)18-11-15-4-5-16(19-3)10-17(15)21-12-14-6-8-20-9-7-14/h4-5,10,13-14,18H,6-9,11-12H2,1-3H3.
What are the key properties of N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine?
N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62385101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).