1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine

C17H28N2O2 — CID 60905233

IUPAC1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
SMILESCOc1ccc(OCCN2CCCCC2)c(CC(C)N)c1
InChIInChI=1S/C17H28N2O2/c1-14(18)12-15-13-16(20-2)6-7-17(15)21-11-10-19-8-4-3-5-9-19/h6-7,13-14H,3-5,8-12,18H2,1-2H3
InChIKeyGISFIGBMEVZLJO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.45
Rot. Bonds7

About 1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine

1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine (PubChem CID 60905233) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
PubChem CID60905233
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
SMILESCOc1ccc(OCCN2CCCCC2)c(CC(C)N)c1
InChIInChI=1S/C17H28N2O2/c1-14(18)12-15-13-16(20-2)6-7-17(15)21-11-10-19-8-4-3-5-9-19/h6-7,13-14H,3-5,8-12,18H2,1-2H3
InChIKeyGISFIGBMEVZLJO-UHFFFAOYSA-N
XLogP2.45
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
CID 54928974
1-[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60878143
1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine
CID 113374413
[5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 82889010
1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine
CID 117374676
1-[2-[2-(3-chloroprop-1-ynyl)-4-methoxyphenoxy]ethyl]piperidine
CID 104706668
3-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-amine
CID 104706985
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
1-[6-methyl-3-(2-piperidin-1-ylethoxy)-2-pyridinyl]propan-2-amine
CID 79169001
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 61494131

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine (CID 60905233) is 1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine is COc1ccc(OCCN2CCCCC2)c(CC(C)N)c1.
What is the InChIKey of 1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine?
The InChIKey is GISFIGBMEVZLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(18)12-15-13-16(20-2)6-7-17(15)21-11-10-19-8-4-3-5-9-19/h6-7,13-14H,3-5,8-12,18H2,1-2H3.
What are the key properties of 1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine?
1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine has a molecular weight of 292.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 60905233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).