4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline

C15H24N2O2 — CID 115414154

IUPAC4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
SMILESCOc1ccc(N)c(CN(C)CC2CCCOC2)c1
InChIInChI=1S/C15H24N2O2/c1-17(9-12-4-3-7-19-11-12)10-13-8-14(18-2)5-6-15(13)16/h5-6,8,12H,3-4,7,9-11,16H2,1-2H3
InChIKeyATOSHNMZXNUHRZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds5

About 4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline

4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline (PubChem CID 115414154) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
PubChem CID115414154
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
SMILESCOc1ccc(N)c(CN(C)CC2CCCOC2)c1
InChIInChI=1S/C15H24N2O2/c1-17(9-12-4-3-7-19-11-12)10-13-8-14(18-2)5-6-15(13)16/h5-6,8,12H,3-4,7,9-11,16H2,1-2H3
InChIKeyATOSHNMZXNUHRZ-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

3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
CID 63706552
3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 107208438
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
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
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 65326023
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712788
6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79372390
4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline
CID 63726412
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 102771142
2-[[ethyl(methyl)amino]methyl]-4-methoxyaniline
CID 115413765

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline?
The IUPAC name of 4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline (CID 115414154) is 4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline is COc1ccc(N)c(CN(C)CC2CCCOC2)c1.
What is the InChIKey of 4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline?
The InChIKey is ATOSHNMZXNUHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(9-12-4-3-7-19-11-12)10-13-8-14(18-2)5-6-15(13)16/h5-6,8,12H,3-4,7,9-11,16H2,1-2H3.
What are the key properties of 4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline?
4-methoxy-2-[[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 4-methoxy-2-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 115414154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).