N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine

C15H23NO3 — CID 62350684

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine
SMILESCOc1cccc(CNCC2CCOCC2)c1OC
InChIInChI=1S/C15H23NO3/c1-17-14-5-3-4-13(15(14)18-2)11-16-10-12-6-8-19-9-7-12/h3-5,12,16H,6-11H2,1-2H3
InChIKeyQKBVNPWEEYQHMZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.22
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine

N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 62350684) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID62350684
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine
SMILESCOc1cccc(CNCC2CCOCC2)c1OC
InChIInChI=1S/C15H23NO3/c1-17-14-5-3-4-13(15(14)18-2)11-16-10-12-6-8-19-9-7-12/h3-5,12,16H,6-11H2,1-2H3
InChIKeyQKBVNPWEEYQHMZ-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 54931890
2-methoxy-6-[(oxan-4-ylmethylamino)methyl]phenol
CID 55210136
2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927106
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2,3-dimethoxyphenyl)methyl]methanamine
CID 60761267
N-[[3-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62386016
N-[[3-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057940
1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804284
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
3-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383088
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655289
N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 43560143
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine (CID 62350684) is N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine is COc1cccc(CNCC2CCOCC2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is QKBVNPWEEYQHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-14-5-3-4-13(15(14)18-2)11-16-10-12-6-8-19-9-7-12/h3-5,12,16H,6-11H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine?
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 265.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 62350684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).