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

C15H24N2O — CID 62861106

IUPAC3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1CN(C)CC1CCC1
InChIInChI=1S/C15H24N2O/c1-3-18-15-8-7-14(16)9-13(15)11-17(2)10-12-5-4-6-12/h7-9,12H,3-6,10-11,16H2,1-2H3
InChIKeyKZCFYGBMPUMMCS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.90
Rot. Bonds6

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

3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline (PubChem CID 62861106) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline.

Molecular Properties

Compound Name3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline
PubChem CID62861106
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline
SMILESCCOc1ccc(N)cc1CN(C)CC1CCC1
InChIInChI=1S/C15H24N2O/c1-3-18-15-8-7-14(16)9-13(15)11-17(2)10-12-5-4-6-12/h7-9,12H,3-6,10-11,16H2,1-2H3
InChIKeyKZCFYGBMPUMMCS-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.90
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

3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974
4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 61431598
3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 63955929
3-[[cyclopentyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 43540722
1-[3-[[cyclopropylmethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 54880473
4-methoxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]aniline
CID 63233491
5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide
CID 62856750
2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide
CID 43373771
N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine
CID 43610736
3-(diethylaminomethyl)-4-ethoxyaniline
CID 12703368
4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 43574952
4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
CID 82980831

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline?
The IUPAC name of 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline (CID 62861106) is 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline.
What is the SMILES notation for 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline?
The canonical SMILES for 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline is CCOc1ccc(N)cc1CN(C)CC1CCC1.
What is the InChIKey of 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline?
The InChIKey is KZCFYGBMPUMMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-18-15-8-7-14(16)9-13(15)11-17(2)10-12-5-4-6-12/h7-9,12H,3-6,10-11,16H2,1-2H3.
What are the key properties of 3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline?
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-ethoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 2.90, 6 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-ethoxyaniline is sourced from PubChem (CID 62861106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).