2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline

C14H22N2O2 — CID 81298982

IUPAC2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCOc1ccc(CN)c(N(C)CC2CCCO2)c1
InChIInChI=1S/C14H22N2O2/c1-16(10-13-4-3-7-18-13)14-8-12(17-2)6-5-11(14)9-15/h5-6,8,13H,3-4,7,9-10,15H2,1-2H3
InChIKeyMSOQAGHTKAIZIE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.77
Rot. Bonds5

About 2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline

2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline (PubChem CID 81298982) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline
PubChem CID81298982
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline
SMILESCOc1ccc(CN)c(N(C)CC2CCCO2)c1
InChIInChI=1S/C14H22N2O2/c1-16(10-13-4-3-7-18-13)14-8-12(17-2)6-5-11(14)9-15/h5-6,8,13H,3-4,7,9-10,15H2,1-2H3
InChIKeyMSOQAGHTKAIZIE-UHFFFAOYSA-N
XLogP1.77
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline 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

4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 63672016
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methoxybenzenecarbothioamide
CID 81305905
2-(2-aminobutyl)-5-chloro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114861241
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxolan-3-yl)-N-(oxolan-2-ylmethyl)methanamine
CID 46962832
5-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848953
2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
CID 81299533
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-5-methoxy-N-methylaniline
CID 81299543
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
2-(aminomethyl)-N,6-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 107105586
[4-methoxy-2-(oxolan-2-ylmethoxymethyl)phenyl]boronic acid
CID 65327740

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline (CID 81298982) is 2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline is COc1ccc(CN)c(N(C)CC2CCCO2)c1.
What is the InChIKey of 2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is MSOQAGHTKAIZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(10-13-4-3-7-18-13)14-8-12(17-2)6-5-11(14)9-15/h5-6,8,13H,3-4,7,9-10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline?
2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 250.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 81298982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).