2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine

C15H22ClFN2 — CID 114843422

IUPAC2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2ccc(Cl)cc2F)CC1C
InChIInChI=1S/C15H22ClFN2/c1-10-5-6-19(9-11(10)2)15(8-18)13-4-3-12(16)7-14(13)17/h3-4,7,10-11,15H,5-6,8-9,18H2,1-2H3
InChIKeyHZAIZZYZYWKGIW-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.46
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine

2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine (PubChem CID 114843422) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
PubChem CID114843422
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2ccc(Cl)cc2F)CC1C
InChIInChI=1S/C15H22ClFN2/c1-10-5-6-19(9-11(10)2)15(8-18)13-4-3-12(16)7-14(13)17/h3-4,7,10-11,15H,5-6,8-9,18H2,1-2H3
InChIKeyHZAIZZYZYWKGIW-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-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-(2-methylthiomorpholin-4-yl)ethanamine
CID 114843418
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 114843208
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840
2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964850
1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956061
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166284
2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 114076201
2-(4-chloro-2-fluorophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454238

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine (CID 114843422) is 2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine is CC1CCN(C(CN)c2ccc(Cl)cc2F)CC1C.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is HZAIZZYZYWKGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-10-5-6-19(9-11(10)2)15(8-18)13-4-3-12(16)7-14(13)17/h3-4,7,10-11,15H,5-6,8-9,18H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine?
2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 114843422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).