2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine

C15H22Cl2N2O — CID 102964850

IUPAC2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2ccc(Cl)cc2Cl)CCC1C
InChIInChI=1S/C15H22Cl2N2O/c1-10-5-6-19(9-15(10)20-2)14(8-18)12-4-3-11(16)7-13(12)17/h3-4,7,10,14-15H,5-6,8-9,18H2,1-2H3
InChIKeyPIFDPHSFVMHYTN-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.35
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine

2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine (PubChem CID 102964850) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
PubChem CID102964850
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2ccc(Cl)cc2Cl)CCC1C
InChIInChI=1S/C15H22Cl2N2O/c1-10-5-6-19(9-15(10)20-2)14(8-18)12-4-3-11(16)7-13(12)17/h3-4,7,10,14-15H,5-6,8-9,18H2,1-2H3
InChIKeyPIFDPHSFVMHYTN-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166284
2-(3,4-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964877
2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 114076201
2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
CID 114843422
2-(2-ethylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964789
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585830
2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964868
2-(5-ethylfuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102965022
2-(5-ethylthiophen-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964934
2-(2,4-dichlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
CID 62332287
2-(2,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391282
2-(2,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531886

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine (CID 102964850) is 2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine is COC1CN(C(CN)c2ccc(Cl)cc2Cl)CCC1C.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
The InChIKey is PIFDPHSFVMHYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-10-5-6-19(9-15(10)20-2)14(8-18)12-4-3-11(16)7-13(12)17/h3-4,7,10,14-15H,5-6,8-9,18H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine?
2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine has a molecular weight of 317.26 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 102964850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).