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

C15H23NO3 — CID 43403643

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
SMILESCOc1ccc(CNCC2CCCCO2)cc1OC
InChIInChI=1S/C15H23NO3/c1-17-14-7-6-12(9-15(14)18-2)10-16-11-13-5-3-4-8-19-13/h6-7,9,13,16H,3-5,8,10-11H2,1-2H3
InChIKeyAMJBIAABHDELSO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.36
Rot. Bonds6

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

N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 43403643) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID43403643
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
SMILESCOc1ccc(CNCC2CCCCO2)cc1OC
InChIInChI=1S/C15H23NO3/c1-17-14-7-6-12(9-15(14)18-2)10-16-11-13-5-3-4-8-19-13/h6-7,9,13,16H,3-5,8,10-11H2,1-2H3
InChIKeyAMJBIAABHDELSO-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 54847965
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
1-cyclohexyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804211
N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 60977016
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7458340
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
N-[(3,4-dimethoxyphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994259
N-[(3,4-dimethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163453
N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 54948810

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine (CID 43403643) is N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine is COc1ccc(CNCC2CCCCO2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is AMJBIAABHDELSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-14-7-6-12(9-15(14)18-2)10-16-11-13-5-3-4-8-19-13/h6-7,9,13,16H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine?
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 265.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 43403643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).