N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine

C20H28N2O3 — CID 78805229

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine
SMILESCOc1cccc(CNCC(c2ccco2)N2CCCCC2)c1OC
InChIInChI=1S/C20H28N2O3/c1-23-19-9-6-8-16(20(19)24-2)14-21-15-17(18-10-7-13-25-18)22-11-4-3-5-12-22/h6-10,13,17,21H,3-5,11-12,14-15H2,1-2H3
InChIKeyFOCKSCDVLYKDOL-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.61
Rot. Bonds8

About N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine

N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine (PubChem CID 78805229) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine
PubChem CID78805229
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine
SMILESCOc1cccc(CNCC(c2ccco2)N2CCCCC2)c1OC
InChIInChI=1S/C20H28N2O3/c1-23-19-9-6-8-16(20(19)24-2)14-21-15-17(18-10-7-13-25-18)22-11-4-3-5-12-22/h6-10,13,17,21H,3-5,11-12,14-15H2,1-2H3
InChIKeyFOCKSCDVLYKDOL-UHFFFAOYSA-N
XLogP3.61
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine
CID 119125224
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 51291075
2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43181232
(2R)-2-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 93257792
(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 9453091
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
N-[(4-ethoxyphenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 78805253
4-[[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methyl]phenol
CID 43181226
N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43081423
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111007016

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine (CID 78805229) is N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine is COc1cccc(CNCC(c2ccco2)N2CCCCC2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine?
The InChIKey is FOCKSCDVLYKDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-23-19-9-6-8-16(20(19)24-2)14-21-15-17(18-10-7-13-25-18)22-11-4-3-5-12-22/h6-10,13,17,21H,3-5,11-12,14-15H2,1-2H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine?
N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine has a molecular weight of 344.46 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 78805229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).