2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine

C21H28N2O2 — CID 56898953

IUPAC2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine
SMILESCOc1ccccc1OC1CCN(Cc2ccc(CCN)cc2)CC1
InChIInChI=1S/C21H28N2O2/c1-24-20-4-2-3-5-21(20)25-19-11-14-23(15-12-19)16-18-8-6-17(7-9-18)10-13-22/h2-9,19H,10-16,22H2,1H3
InChIKeyJZOVUUXYGKXAHK-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.24
Rot. Bonds7

About 2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine

2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine (PubChem CID 56898953) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine
PubChem CID56898953
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine
SMILESCOc1ccccc1OC1CCN(Cc2ccc(CCN)cc2)CC1
InChIInChI=1S/C21H28N2O2/c1-24-20-4-2-3-5-21(20)25-19-11-14-23(15-12-19)16-18-8-6-17(7-9-18)10-13-22/h2-9,19H,10-16,22H2,1H3
InChIKeyJZOVUUXYGKXAHK-UHFFFAOYSA-N
XLogP3.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenol
CID 56883892
3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine
CID 15624038
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine
CID 56886222
3-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732606
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692295
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42245325
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanol
CID 112631146
3-fluoro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxybenzamide
CID 143718334

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine (CID 56898953) is 2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine is COc1ccccc1OC1CCN(Cc2ccc(CCN)cc2)CC1.
What is the InChIKey of 2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine?
The InChIKey is JZOVUUXYGKXAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-24-20-4-2-3-5-21(20)25-19-11-14-23(15-12-19)16-18-8-6-17(7-9-18)10-13-22/h2-9,19H,10-16,22H2,1H3.
What are the key properties of 2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine?
2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine has a molecular weight of 340.47 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]phenyl]ethanamine is sourced from PubChem (CID 56898953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).