N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine

C16H27NO2 — CID 112610263

IUPACN-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCCOc1c(C)cccc1CNCC(C)C
InChIInChI=1S/C16H27NO2/c1-13(2)11-17-12-15-8-5-7-14(3)16(15)19-10-6-9-18-4/h5,7-8,13,17H,6,9-12H2,1-4H3
InChIKeyHYGXJIIIPCQYHL-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.16
Rot. Bonds9

About N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine

N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 112610263) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
PubChem CID112610263
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCCOc1c(C)cccc1CNCC(C)C
InChIInChI=1S/C16H27NO2/c1-13(2)11-17-12-15-8-5-7-14(3)16(15)19-10-6-9-18-4/h5,7-8,13,17H,6,9-12H2,1-4H3
InChIKeyHYGXJIIIPCQYHL-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.16
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

N-[[2-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 115954328
N-[(2-but-3-ynoxy-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 112610235
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 112610248
2-methyl-N-[[3-methyl-2-(2-methylidenebutoxy)phenyl]methyl]propan-1-amine
CID 112610261
2-methyl-N-[[3-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-1-amine
CID 106704768
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496
propan-2-yl 2-[2-methyl-6-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 115954358
N-[[4-(4-methoxybutoxy)-3,5-dimethylphenyl]methyl]-2-methylpropan-1-amine
CID 104647029
2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471739
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
1-(chloromethyl)-2-(4-methoxybutoxy)-3-methylbenzene
CID 104648135
2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine
CID 113473481

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine (CID 112610263) is N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine is COCCCOc1c(C)cccc1CNCC(C)C.
What is the InChIKey of N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is HYGXJIIIPCQYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)11-17-12-15-8-5-7-14(3)16(15)19-10-6-9-18-4/h5,7-8,13,17H,6,9-12H2,1-4H3.
What are the key properties of N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 112610263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).