2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine

C16H26N2O — CID 102965080

IUPAC2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCCN(C(CN)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C16H26N2O/c1-12-6-7-14(9-13(12)2)16(10-17)18-8-4-5-15(11-18)19-3/h6-7,9,15-16H,4-5,8,10-11,17H2,1-3H3
InChIKeyQJWNJBPEOQLTCZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.41
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine

2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine (PubChem CID 102965080) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
PubChem CID102965080
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
SMILESCOC1CCCN(C(CN)c2ccc(C)c(C)c2)C1
InChIInChI=1S/C16H26N2O/c1-12-6-7-14(9-13(12)2)16(10-17)18-8-4-5-15(11-18)19-3/h6-7,9,15-16H,4-5,8,10-11,17H2,1-3H3
InChIKeyQJWNJBPEOQLTCZ-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 106817344
2-(3-methoxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 102965130
2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531609
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586275
2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965132
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
2-(4-chlorothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965116
2-(5-bromofuran-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965074
2-(3-bromo-4-methoxyphenyl)-2-(3-ethylpiperidin-1-yl)ethanamine
CID 61036698
4-[1-(3-methoxypiperidin-1-yl)propyl]phenol
CID 102969248
2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
CID 102965278

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine (CID 102965080) is 2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine is COC1CCCN(C(CN)c2ccc(C)c(C)c2)C1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
The InChIKey is QJWNJBPEOQLTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-6-7-14(9-13(12)2)16(10-17)18-8-4-5-15(11-18)19-3/h6-7,9,15-16H,4-5,8,10-11,17H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine?
2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 102965080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).