N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine

C16H25NO2 — CID 106792296

IUPACN-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1OC)C1CCOCC1
InChIInChI=1S/C16H25NO2/c1-4-17-16(13-7-9-19-10-8-13)14-6-5-12(2)11-15(14)18-3/h5-6,11,13,16-17H,4,7-10H2,1-3H3
InChIKeyOBFMKAYBDPFPSV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.08
Rot. Bonds5

About N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine

N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine (PubChem CID 106792296) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine
PubChem CID106792296
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1OC)C1CCOCC1
InChIInChI=1S/C16H25NO2/c1-4-17-16(13-7-9-19-10-8-13)14-6-5-12(2)11-15(14)18-3/h5-6,11,13,16-17H,4,7-10H2,1-3H3
InChIKeyOBFMKAYBDPFPSV-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

(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine
CID 83824354
[(2-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 106793716
N-[(2-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 62905667
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 63011043
N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 104988838
N-[(3-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 55131786
N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988095
N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276557
N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine
CID 115856059
N-[(4-chloro-2-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 63936493
1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932279

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine (CID 106792296) is N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine is CCNC(c1ccc(C)cc1OC)C1CCOCC1.
What is the InChIKey of N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine?
The InChIKey is OBFMKAYBDPFPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-17-16(13-7-9-19-10-8-13)14-6-5-12(2)11-15(14)18-3/h5-6,11,13,16-17H,4,7-10H2,1-3H3.
What are the key properties of N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine?
N-[(2-methoxy-4-methylphenyl)-(oxan-4-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-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 106792296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).