1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine

C13H21NO2 — CID 82720712

IUPAC1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCOCc1cccc(CNOC(C)(C)C)c1
InChIInChI=1S/C13H21NO2/c1-13(2,3)16-14-9-11-6-5-7-12(8-11)10-15-4/h5-8,14H,9-10H2,1-4H3
InChIKeyMVYQMUJCVPIJAH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.65
Rot. Bonds5

About 1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine

1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine (PubChem CID 82720712) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
PubChem CID82720712
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCOCc1cccc(CNOC(C)(C)C)c1
InChIInChI=1S/C13H21NO2/c1-13(2,3)16-14-9-11-6-5-7-12(8-11)10-15-4/h5-8,14H,9-10H2,1-4H3
InChIKeyMVYQMUJCVPIJAH-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54896409
N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine
CID 54896550
1-[3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117284060
1-ethyl-3-(methoxymethyl)benzene
CID 54065687
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine
CID 113228936
1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol
CID 103699421
1-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 113248763
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid
CID 61342159

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine (CID 82720712) is 1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine is COCc1cccc(CNOC(C)(C)C)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine?
The InChIKey is MVYQMUJCVPIJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,3)16-14-9-11-6-5-7-12(8-11)10-15-4/h5-8,14H,9-10H2,1-4H3.
What are the key properties of 1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine?
1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine is sourced from PubChem (CID 82720712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).