N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine

C13H21NO2 — CID 112610137

IUPACN-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine
SMILESCOCOc1c(C)cccc1CNC(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)14-8-12-7-5-6-11(3)13(12)16-9-15-4/h5-7,10,14H,8-9H2,1-4H3
InChIKeyQJFIHEWOMBSRJW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.48
Rot. Bonds6

About N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine

N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine (PubChem CID 112610137) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine
PubChem CID112610137
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine
SMILESCOCOc1c(C)cccc1CNC(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)14-8-12-7-5-6-11(3)13(12)16-9-15-4/h5-7,10,14H,8-9H2,1-4H3
InChIKeyQJFIHEWOMBSRJW-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 112610151
N-[[2-(3,3-dimethylbutoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610090
N-[(2-heptoxy-3-methylphenyl)methyl]propan-2-amine
CID 115954021
N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954081
N-[(2-but-3-en-2-yloxy-3-methylphenyl)methyl]propan-2-amine
CID 112610107
N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954077
N-ethyl-2-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 112610064
N-[[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954092
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 116520893
N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine
CID 115954063
N-[[3-bromo-2-(ethoxymethoxy)phenyl]methyl]propan-2-amine
CID 65369454
N-[[2-(3-methoxypropoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 112610263

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine (CID 112610137) is N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine is COCOc1c(C)cccc1CNC(C)C.
What is the InChIKey of N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is QJFIHEWOMBSRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)14-8-12-7-5-6-11(3)13(12)16-9-15-4/h5-7,10,14H,8-9H2,1-4H3.
What are the key properties of N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine?
N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 112610137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).