3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline

C14H22N2O — CID 62861974

IUPAC3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1CN(C)CC1CCC1
InChIInChI=1S/C14H22N2O/c1-16(9-11-4-3-5-11)10-12-8-13(15)6-7-14(12)17-2/h6-8,11H,3-5,9-10,15H2,1-2H3
InChIKeyJBUVJNMCAVCKNL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.51
Rot. Bonds5

About 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline

3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline (PubChem CID 62861974) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline.

Molecular Properties

Compound Name3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
PubChem CID62861974
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
SMILESCOc1ccc(N)cc1CN(C)CC1CCC1
InChIInChI=1S/C14H22N2O/c1-16(9-11-4-3-5-11)10-12-8-13(15)6-7-14(12)17-2/h6-8,11H,3-5,9-10,15H2,1-2H3
InChIKeyJBUVJNMCAVCKNL-UHFFFAOYSA-N
XLogP2.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline
CID 63233491
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline
CID 62861106
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 62018368
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxybenzoic acid
CID 62861744
3-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]aniline
CID 107208438
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
1-[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-methylethanamine
CID 62859874
1-cyclopropyl-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylmethanamine
CID 62017230
3-[3-[[cyclopentylmethyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 63631805
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81116864
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63726480

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline?
The IUPAC name of 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline (CID 62861974) is 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline.
What is the SMILES notation for 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline?
The canonical SMILES for 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline is COc1ccc(N)cc1CN(C)CC1CCC1.
What is the InChIKey of 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline?
The InChIKey is JBUVJNMCAVCKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16(9-11-4-3-5-11)10-12-8-13(15)6-7-14(12)17-2/h6-8,11H,3-5,9-10,15H2,1-2H3.
What are the key properties of 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline?
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline has a molecular weight of 234.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline is sourced from PubChem (CID 62861974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).