2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine

C14H21ClFN3 — CID 114453410

IUPAC2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2cc(F)cc(Cl)c2)CCN1C
InChIInChI=1S/C14H21ClFN3/c1-10-9-19(4-3-18(10)2)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,3-4,8-9,17H2,1-2H3
InChIKeyVHEUAYQLSJVSNO-UHFFFAOYSA-N
MW285.79 g/mol
LogP2.11
Rot. Bonds3

About 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine

2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine (PubChem CID 114453410) has the molecular formula C14H21ClFN3 and a molecular weight of 285.79 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
PubChem CID114453410
Molecular FormulaC14H21ClFN3
Molecular Weight285.79 g/mol
Exact Mass285.14
IUPAC Name2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2cc(F)cc(Cl)c2)CCN1C
InChIInChI=1S/C14H21ClFN3/c1-10-9-19(4-3-18(10)2)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,3-4,8-9,17H2,1-2H3
InChIKeyVHEUAYQLSJVSNO-UHFFFAOYSA-N
XLogP2.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine (CID 114453410) is 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine is CC1CN(C(CN)c2cc(F)cc(Cl)c2)CCN1C.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The InChIKey is VHEUAYQLSJVSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN3/c1-10-9-19(4-3-18(10)2)14(8-17)11-5-12(15)7-13(16)6-11/h5-7,10,14H,3-4,8-9,17H2,1-2H3.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine has a molecular weight of 285.79 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 114453410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).