4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline

C14H22N2O2 — CID 113305279

IUPAC4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
SMILESCOc1ccc(N)c(CN(C)CC2CCCO2)c1
InChIInChI=1S/C14H22N2O2/c1-16(10-13-4-3-7-18-13)9-11-8-12(17-2)5-6-14(11)15/h5-6,8,13H,3-4,7,9-10,15H2,1-2H3
InChIKeyDDGADGCWEXJSLH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.89
Rot. Bonds5

About 4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline

4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline (PubChem CID 113305279) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
PubChem CID113305279
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
SMILESCOc1ccc(N)c(CN(C)CC2CCCO2)c1
InChIInChI=1S/C14H22N2O2/c1-16(10-13-4-3-7-18-13)9-11-8-12(17-2)5-6-14(11)15/h5-6,8,13H,3-4,7,9-10,15H2,1-2H3
InChIKeyDDGADGCWEXJSLH-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 115414154
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
4-chloro-3-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61430964
2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81298982
2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 63672016
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61436320
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86911707
1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431727
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62469789
4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82978354

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline?
The IUPAC name of 4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline (CID 113305279) is 4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline is COc1ccc(N)c(CN(C)CC2CCCO2)c1.
What is the InChIKey of 4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline?
The InChIKey is DDGADGCWEXJSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16(10-13-4-3-7-18-13)9-11-8-12(17-2)5-6-14(11)15/h5-6,8,13H,3-4,7,9-10,15H2,1-2H3.
What are the key properties of 4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline?
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline has a molecular weight of 250.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 113305279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).