1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine

C17H28N2O — CID 103495074

IUPAC1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
SMILESCOc1ccccc1C(N)CN1CCC(C(C)C)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)14-8-10-19(11-9-14)12-16(18)15-6-4-5-7-17(15)20-3/h4-7,13-14,16H,8-12,18H2,1-3H3
InChIKeyJHIUHMXIABXLLH-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.06
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine

1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine (PubChem CID 103495074) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
PubChem CID103495074
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
SMILESCOc1ccccc1C(N)CN1CCC(C(C)C)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)14-8-10-19(11-9-14)12-16(18)15-6-4-5-7-17(15)20-3/h4-7,13-14,16H,8-12,18H2,1-3H3
InChIKeyJHIUHMXIABXLLH-UHFFFAOYSA-N
XLogP3.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-diethylpiperidin-1-yl)-1-(2-methoxyphenyl)ethanamine
CID 63160864
1-(2-methoxyphenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-2-amine
CID 103505314
1-(2-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965644
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 114058299
1-[2-amino-2-(2-ethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16783798
1-(2,4-dimethoxyphenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61420654
1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 107521976
1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680024
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 16781666

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine (CID 103495074) is 1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine is COc1ccccc1C(N)CN1CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
The InChIKey is JHIUHMXIABXLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)14-8-10-19(11-9-14)12-16(18)15-6-4-5-7-17(15)20-3/h4-7,13-14,16H,8-12,18H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine?
1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 103495074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).