N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine

C16H25NO2 — CID 63011043

IUPACN-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1OC)C1CCCOC1
InChIInChI=1S/C16H25NO2/c1-4-17-16(13-6-5-9-19-11-13)14-10-12(2)7-8-15(14)18-3/h7-8,10,13,16-17H,4-6,9,11H2,1-3H3
InChIKeyBIDUCGSUTVVLNU-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.08
Rot. Bonds5

About N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine

N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 63011043) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
PubChem CID63011043
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1OC)C1CCCOC1
InChIInChI=1S/C16H25NO2/c1-4-17-16(13-6-5-9-19-11-13)14-10-12(2)7-8-15(14)18-3/h7-8,10,13,16-17H,4-6,9,11H2,1-3H3
InChIKeyBIDUCGSUTVVLNU-UHFFFAOYSA-N
XLogP3.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 104988838
N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 106792296
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012561
N-[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107138948
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
N-[(2,5-dibromo-4-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 81473120

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine (CID 63011043) is N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1cc(C)ccc1OC)C1CCCOC1.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is BIDUCGSUTVVLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-17-16(13-6-5-9-19-11-13)14-10-12(2)7-8-15(14)18-3/h7-8,10,13,16-17H,4-6,9,11H2,1-3H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine?
N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 63011043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).