2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

C15H22ClFN2O — CID 114843208

IUPAC2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCN(C(CN)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H22ClFN2O/c1-20-10-11-4-6-19(7-5-11)15(9-18)13-3-2-12(16)8-14(13)17/h2-3,8,11,15H,4-7,9-10,18H2,1H3
InChIKeyOGEMXQIDEGMOER-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.84
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 114843208) has the molecular formula C15H22ClFN2O and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
PubChem CID114843208
Molecular FormulaC15H22ClFN2O
Molecular Weight300.81 g/mol
Exact Mass300.14
IUPAC Name2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCN(C(CN)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H22ClFN2O/c1-20-10-11-4-6-19(7-5-11)15(9-18)13-3-2-12(16)8-14(13)17/h2-3,8,11,15H,4-7,9-10,18H2,1H3
InChIKeyOGEMXQIDEGMOER-UHFFFAOYSA-N
XLogP2.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
CID 114843397
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
CID 114843422
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840
2-(2,3-dichlorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63971708
2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 114843418
2-(4-methoxy-3-methylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63973443
2-(4-chloro-2-fluorophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454238
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
2-[4-(methoxymethyl)piperidin-1-yl]-2-(3-methylthiophen-2-yl)ethanamine
CID 63972078
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585830
2-[4-(methoxymethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822316

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (CID 114843208) is 2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is COCC1CCN(C(CN)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is OGEMXQIDEGMOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O/c1-20-10-11-4-6-19(7-5-11)15(9-18)13-3-2-12(16)8-14(13)17/h2-3,8,11,15H,4-7,9-10,18H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 300.81 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 114843208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).