N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine

C12H17NO2 — CID 115004660

IUPACN-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine
SMILESCONCc1ccc(CC2COC2)cc1
InChIInChI=1S/C12H17NO2/c1-14-13-7-11-4-2-10(3-5-11)6-12-8-15-9-12/h2-5,12-13H,6-9H2,1H3
InChIKeyQLMIAONLBBMAAH-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.53
Rot. Bonds5

About N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine

N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine (PubChem CID 115004660) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine
PubChem CID115004660
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine
SMILESCONCc1ccc(CC2COC2)cc1
InChIInChI=1S/C12H17NO2/c1-14-13-7-11-4-2-10(3-5-11)6-12-8-15-9-12/h2-5,12-13H,6-9H2,1H3
InChIKeyQLMIAONLBBMAAH-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.53
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-[4-(oxetan-3-ylmethyl)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

2-azaniumylethoxy-[(1R)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentyl]azanium
CID 78225972
(4-(Oxetan-3-yl)phenyl)methanamine
CID 72698752
1-(3-(Oxetan-3-yl)phenyl)methanamine
CID 83826708
5-Methoxy-1-phenylpentan-1-amine
CID 60926790
3-(4-Methylphenyl)-1,2-oxazolidine
CID 105432193
Benzyl(2-methylpropoxy)amine hydrochloride
CID 121552992
N-methoxy-1-(4-propan-2-ylphenyl)methanamine
CID 54198221
(R)-oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 138466512
Oxetan-3-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 138466513
[3-Fluoro-4-(2-methoxyethyl)phenyl]methanamine
CID 169060454
[4-(3-Ethoxypropyl)-3-fluorophenyl]methanamine
CID 169999152
(R)-(3-fluoro-4-methylphenyl)-(oxetan-3-yl)methanamine
CID 170249087

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine?
The IUPAC name of N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine (CID 115004660) is N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine is CONCc1ccc(CC2COC2)cc1.
What is the InChIKey of N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine?
The InChIKey is QLMIAONLBBMAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-13-7-11-4-2-10(3-5-11)6-12-8-15-9-12/h2-5,12-13H,6-9H2,1H3.
What are the key properties of N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine?
N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine has a molecular weight of 207.27 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-(oxetan-3-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 115004660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).