N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine

C15H23NO3 — CID 54948810

IUPACN-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
SMILESCOc1cc(CNCC2CCCCO2)cc(OC)c1
InChIInChI=1S/C15H23NO3/c1-17-14-7-12(8-15(9-14)18-2)10-16-11-13-5-3-4-6-19-13/h7-9,13,16H,3-6,10-11H2,1-2H3
InChIKeyDKGLISYTRFCJIB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.36
Rot. Bonds6

About N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine

N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 54948810) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID54948810
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
SMILESCOc1cc(CNCC2CCCCO2)cc(OC)c1
InChIInChI=1S/C15H23NO3/c1-17-14-7-12(8-15(9-14)18-2)10-16-11-13-5-3-4-6-19-13/h7-9,13,16H,3-6,10-11H2,1-2H3
InChIKeyDKGLISYTRFCJIB-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-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 60977016
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
N-[(3,5-dichlorophenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014706
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458136
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 55014332
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
5-methoxy-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 80739281
N-[(3-bromo-5-fluorophenyl)methyl]-1-(oxan-2-yl)methanamine
CID 79710773
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 4717413
2,6-dichloro-4-[(oxolan-2-ylmethylamino)methyl]aniline
CID 82833111

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine (CID 54948810) is N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine is COc1cc(CNCC2CCCCO2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is DKGLISYTRFCJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-14-7-12(8-15(9-14)18-2)10-16-11-13-5-3-4-6-19-13/h7-9,13,16H,3-6,10-11H2,1-2H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine?
N-[(3,5-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-[(3,5-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 54948810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).