N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine

C16H25NO2 — CID 103433591

IUPACN-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1OC)C1CCCO1
InChIInChI=1S/C16H25NO2/c1-5-17-15(14-7-6-10-19-14)13-9-8-11(2)12(3)16(13)18-4/h8-9,14-15,17H,5-7,10H2,1-4H3
InChIKeyQFCKVWBRJOIALW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.14
Rot. Bonds5

About N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine

N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine (PubChem CID 103433591) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine
PubChem CID103433591
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1OC)C1CCCO1
InChIInChI=1S/C16H25NO2/c1-5-17-15(14-7-6-10-19-14)13-9-8-11(2)12(3)16(13)18-4/h8-9,14-15,17H,5-7,10H2,1-4H3
InChIKeyQFCKVWBRJOIALW-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433380
N-[(5-fluoro-2-methylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328698
N-[(2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 103435388
N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 43490967
N-[(2,5-difluorophenyl)-(oxolan-2-yl)methyl]ethanamine
CID 43490214
N-[(2-bromo-4,5-dimethoxyphenyl)-(oxan-2-yl)methyl]ethanamine
CID 62213531
N-[(2-methoxy-3,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 103433620
N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine
CID 106682226
N-[[4-(2-methoxyethyl)phenyl]-(oxolan-2-yl)methyl]ethanamine
CID 43489770
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
[cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103435988
[(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine
CID 103524623

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine (CID 103433591) is N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine is CCNC(c1ccc(C)c(C)c1OC)C1CCCO1.
What is the InChIKey of N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine?
The InChIKey is QFCKVWBRJOIALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-17-15(14-7-6-10-19-14)13-9-8-11(2)12(3)16(13)18-4/h8-9,14-15,17H,5-7,10H2,1-4H3.
What are the key properties of N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine?
N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 103433591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).