1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine

C13H19NO2 — CID 43481680

IUPAC1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1ccc(OC)cc1)C1CCCO1
InChIInChI=1S/C13H19NO2/c1-14-13(12-4-3-9-16-12)10-5-7-11(15-2)8-6-10/h5-8,12-14H,3-4,9H2,1-2H3
InChIKeyQSAIAFKXBGLVSI-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.13
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine

1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 43481680) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID43481680
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(c1ccc(OC)cc1)C1CCCO1
InChIInChI=1S/C13H19NO2/c1-14-13(12-4-3-9-16-12)10-5-7-11(15-2)8-6-10/h5-8,12-14H,3-4,9H2,1-2H3
InChIKeyQSAIAFKXBGLVSI-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)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-(3,4-dimethoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481199
N-methyl-1-naphthalen-2-yl-1-(oxolan-2-yl)methanamine
CID 65328741
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696
methyl (2R)-2-(4-methoxyphenyl)-2-[(2S)-oxolan-2-yl]acetate
CID 135058981
1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79658250
1-(3-fluorophenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 65328286
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43482564
4-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylcyclohexan-1-amine
CID 116952347
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43480086
N-[oxolan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 65328700

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine (CID 43481680) is 1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine is CNC(c1ccc(OC)cc1)C1CCCO1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is QSAIAFKXBGLVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-13(12-4-3-9-16-12)10-5-7-11(15-2)8-6-10/h5-8,12-14H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine?
1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 43481680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).