3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline

C15H24N2O — CID 54855539

IUPAC3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
SMILESCCOc1cccc(NCC2CCCC(C)N2)c1
InChIInChI=1S/C15H24N2O/c1-3-18-15-9-5-7-13(10-15)16-11-14-8-4-6-12(2)17-14/h5,7,9-10,12,14,16-17H,3-4,6,8,11H2,1-2H3
InChIKeyDBNUFGMPAARNKO-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.03
Rot. Bonds5

About 3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline

3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline (PubChem CID 54855539) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
PubChem CID54855539
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
SMILESCCOc1cccc(NCC2CCCC(C)N2)c1
InChIInChI=1S/C15H24N2O/c1-3-18-15-9-5-7-13(10-15)16-11-14-8-4-6-12(2)17-14/h5,7,9-10,12,14,16-17H,3-4,6,8,11H2,1-2H3
InChIKeyDBNUFGMPAARNKO-UHFFFAOYSA-N
XLogP3.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one
CID 107529293
3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633639
N-tert-butyl-3-ethoxyaniline
CID 58745523
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637941
2-(2-ethoxyethoxy)-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855650
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
3-ethoxy-N-propylaniline
CID 54800867
N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline
CID 79979514
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-ethoxyaniline
CID 79220930
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
3-butoxy-N-(cyclohexylmethyl)aniline
CID 54800630
N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline?
The IUPAC name of 3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline (CID 54855539) is 3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline.
What is the SMILES notation for 3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline?
The canonical SMILES for 3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline is CCOc1cccc(NCC2CCCC(C)N2)c1.
What is the InChIKey of 3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline?
The InChIKey is DBNUFGMPAARNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-18-15-9-5-7-13(10-15)16-11-14-8-4-6-12(2)17-14/h5,7,9-10,12,14,16-17H,3-4,6,8,11H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline?
3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline is sourced from PubChem (CID 54855539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).