N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine

C16H25NO2 — CID 112610300

IUPACN-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(C)c1OCCC1CC1
InChIInChI=1S/C16H25NO2/c1-13-4-3-5-15(12-17-9-11-18-2)16(13)19-10-8-14-6-7-14/h3-5,14,17H,6-12H2,1-2H3
InChIKeyPUBKOHBZHLNDEY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds9

About N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine

N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine (PubChem CID 112610300) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
PubChem CID112610300
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cccc(C)c1OCCC1CC1
InChIInChI=1S/C16H25NO2/c1-13-4-3-5-15(12-17-9-11-18-2)16(13)19-10-8-14-6-7-14/h3-5,14,17H,6-12H2,1-2H3
InChIKeyPUBKOHBZHLNDEY-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine
CID 113473481
2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471739
2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine
CID 112610278
N-[[2-[(E)-but-2-enoxy]-3-methylphenyl]methyl]-2-methoxyethanamine
CID 112610273
N'-[(2,3-dimethylphenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405496
2-methoxy-N-[[3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115954443
3-[2-[(2-methoxyethylamino)methyl]-6-methylphenoxy]-1-methylpyrrolidin-2-one
CID 115954451
N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 112610263
2-methoxy-N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041629
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 115954328
N-[[3-bromo-2-(oxan-4-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63059411

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine (CID 112610300) is N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine is COCCNCc1cccc(C)c1OCCC1CC1.
What is the InChIKey of N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine?
The InChIKey is PUBKOHBZHLNDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-4-3-5-15(12-17-9-11-18-2)16(13)19-10-8-14-6-7-14/h3-5,14,17H,6-12H2,1-2H3.
What are the key properties of N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine?
N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 112610300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).