3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline

C15H24N2O2 — CID 107208438

IUPAC3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
SMILESCOc1cc(N)ccc1CN(C)CC1CCCOC1
InChIInChI=1S/C15H24N2O2/c1-17(9-12-4-3-7-19-11-12)10-13-5-6-14(16)8-15(13)18-2/h5-6,8,12H,3-4,7,9-11,16H2,1-2H3
InChIKeyIEAYXIFHBAFBTE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds5

About 3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline

3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline (PubChem CID 107208438) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
PubChem CID107208438
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
SMILESCOc1cc(N)ccc1CN(C)CC1CCCOC1
InChIInChI=1S/C15H24N2O2/c1-17(9-12-4-3-7-19-11-12)10-13-5-6-14(16)8-15(13)18-2/h5-6,8,12H,3-4,7,9-11,16H2,1-2H3
InChIKeyIEAYXIFHBAFBTE-UHFFFAOYSA-N
XLogP2.14
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
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
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[(3R)-oxan-3-yl]methanamine
CID 124548892
[4-methoxy-3-[[methyl(oxan-3-ylmethyl)amino]methyl]phenyl]methanol
CID 63711599
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974
3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
CID 63706552
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 102771142
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-3-methoxyaniline
CID 107208296
2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 106790873
4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline
CID 63726412
3-fluoro-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarbothioamide
CID 63713588
4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline
CID 63233491
4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81116864

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline?
The IUPAC name of 3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline (CID 107208438) is 3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline is COc1cc(N)ccc1CN(C)CC1CCCOC1.
What is the InChIKey of 3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline?
The InChIKey is IEAYXIFHBAFBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(9-12-4-3-7-19-11-12)10-13-5-6-14(16)8-15(13)18-2/h5-6,8,12H,3-4,7,9-11,16H2,1-2H3.
What are the key properties of 3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline?
3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline has a molecular weight of 264.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 107208438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).