N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine

C20H27ClN2O3 — CID 119125224

IUPACN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine
SMILESCOc1ccc(CNCC(c2ccco2)N2CCCCC2)c(Cl)c1OC
InChIInChI=1S/C20H27ClN2O3/c1-24-18-9-8-15(19(21)20(18)25-2)13-22-14-16(17-7-6-12-26-17)23-10-4-3-5-11-23/h6-9,12,16,22H,3-5,10-11,13-14H2,1-2H3
InChIKeyCNGRBGHQYCJJBQ-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.27
Rot. Bonds8

About N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine

N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine (PubChem CID 119125224) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine
PubChem CID119125224
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC NameN-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine
SMILESCOc1ccc(CNCC(c2ccco2)N2CCCCC2)c(Cl)c1OC
InChIInChI=1S/C20H27ClN2O3/c1-24-18-9-8-15(19(21)20(18)25-2)13-22-14-16(17-7-6-12-26-17)23-10-4-3-5-11-23/h6-9,12,16,22H,3-5,10-11,13-14H2,1-2H3
InChIKeyCNGRBGHQYCJJBQ-UHFFFAOYSA-N
XLogP4.27
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine
CID 78805229
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43081423
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
(2R)-2-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 93257792
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111007016
2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43181232
2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 63631314
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-methyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 119126653
1-[(4-chloro-2-methoxyphenyl)methyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111834248
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 51291075
(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 9453091

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine (CID 119125224) is N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine is COc1ccc(CNCC(c2ccco2)N2CCCCC2)c(Cl)c1OC.
What is the InChIKey of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine?
The InChIKey is CNGRBGHQYCJJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-24-18-9-8-15(19(21)20(18)25-2)13-22-14-16(17-7-6-12-26-17)23-10-4-3-5-11-23/h6-9,12,16,22H,3-5,10-11,13-14H2,1-2H3.
What are the key properties of N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine?
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine has a molecular weight of 378.90 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 119125224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).