2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine

C15H24N2O — CID 16792621

IUPAC2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
SMILESCOc1cccc(C(CN)N2CCCC(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-12-5-4-8-17(11-12)15(10-16)13-6-3-7-14(9-13)18-2/h3,6-7,9,12,15H,4-5,8,10-11,16H2,1-2H3
InChIKeyAEZAJJACDUCXGH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.43
Rot. Bonds4

About 2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine

2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine (PubChem CID 16792621) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
PubChem CID16792621
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
SMILESCOc1cccc(C(CN)N2CCCC(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-12-5-4-8-17(11-12)15(10-16)13-6-3-7-14(9-13)18-2/h3,6-7,9,12,15H,4-5,8,10-11,16H2,1-2H3
InChIKeyAEZAJJACDUCXGH-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine
CID 16642768
2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine
CID 83978033
2-(2-ethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanamine
CID 43562486
(2R)-2-(2,3-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 30069929
2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
[4-[2-amino-1-(3-methoxyphenyl)ethyl]morpholin-2-yl]methanol
CID 81206167
2-[3-(difluoromethyl)phenyl]-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965275
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552547
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
CID 112501196
(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 93297932

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine (CID 16792621) is 2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine is COc1cccc(C(CN)N2CCCC(C)C2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine?
The InChIKey is AEZAJJACDUCXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-4-8-17(11-12)15(10-16)13-6-3-7-14(9-13)18-2/h3,6-7,9,12,15H,4-5,8,10-11,16H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine?
2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 16792621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).