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

C13H21NO2 — CID 117107418

IUPACN-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine
SMILESCOCC(C)(C)c1cccc(CNOC)c1
InChIInChI=1S/C13H21NO2/c1-13(2,10-15-3)12-7-5-6-11(8-12)9-14-16-4/h5-8,14H,9-10H2,1-4H3
InChIKeyPDMQMUZINHYFIR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.26
Rot. Bonds6

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

N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine (PubChem CID 117107418) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine
PubChem CID117107418
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine
SMILESCOCC(C)(C)c1cccc(CNOC)c1
InChIInChI=1S/C13H21NO2/c1-13(2,10-15-3)12-7-5-6-11(8-12)9-14-16-4/h5-8,14H,9-10H2,1-4H3
InChIKeyPDMQMUZINHYFIR-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one
CID 117114961
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-1-ol
CID 117117618
O-[2-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]ethyl]hydroxylamine
CID 117111409
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpropanoic acid
CID 115112839
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
CID 141126419
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 82714881
2-[3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117284756
1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720712
1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol
CID 117107385
1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene
CID 57305563
[1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexyl]methanamine
CID 117113421

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine?
The IUPAC name of N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine (CID 117107418) is N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine.
What is the SMILES notation for N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine?
The canonical SMILES for N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine is COCC(C)(C)c1cccc(CNOC)c1.
What is the InChIKey of N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine?
The InChIKey is PDMQMUZINHYFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,10-15-3)12-7-5-6-11(8-12)9-14-16-4/h5-8,14H,9-10H2,1-4H3.
What are the key properties of N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine?
N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]methanamine is sourced from PubChem (CID 117107418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).