1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine

C17H28N2O2 — CID 102965482

IUPAC1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1CN1CCC(C)C(OC)C1
InChIInChI=1S/C17H28N2O2/c1-12-7-8-19(11-17(12)21-4)10-15-9-14(13(2)18)5-6-16(15)20-3/h5-6,9,12-13,17H,7-8,10-11,18H2,1-4H3
InChIKeyODORNFXUJZAGOI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.57
Rot. Bonds5

About 1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine

1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine (PubChem CID 102965482) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine
PubChem CID102965482
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1CN1CCC(C)C(OC)C1
InChIInChI=1S/C17H28N2O2/c1-12-7-8-19(11-17(12)21-4)10-15-9-14(13(2)18)5-6-16(15)20-3/h5-6,9,12-13,17H,7-8,10-11,18H2,1-4H3
InChIKeyODORNFXUJZAGOI-UHFFFAOYSA-N
XLogP2.57
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]aniline
CID 107208575
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860556
1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine
CID 82159596
(3S,4R)-4-(hydroxymethyl)-1-[(2-methoxy-5-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 56887437
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol
CID 64597058
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178939
1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975675
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylphenyl)ethanamine
CID 102965335
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]azepan-2-one
CID 60860741
1-[3-[(3,4-dimethylcyclohexyl)oxymethyl]-4-methoxyphenyl]ethanamine
CID 64746522
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 60860252
1-[3-[(3-ethylmorpholin-4-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860565

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine?
The IUPAC name of 1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine (CID 102965482) is 1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for 1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine?
The canonical SMILES for 1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine is COc1ccc(C(C)N)cc1CN1CCC(C)C(OC)C1.
What is the InChIKey of 1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine?
The InChIKey is ODORNFXUJZAGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-7-8-19(11-17(12)21-4)10-15-9-14(13(2)18)5-6-16(15)20-3/h5-6,9,12-13,17H,7-8,10-11,18H2,1-4H3.
What are the key properties of 1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine?
1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 102965482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).