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

C14H21ClFN3 — CID 63605224

IUPAC2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(Cl)c(F)c2)CCN1C
InChIInChI=1S/C14H21ClFN3/c1-10-9-19(6-5-18(10)2)14(8-17)11-3-4-12(15)13(16)7-11/h3-4,7,10,14H,5-6,8-9,17H2,1-2H3
InChIKeyOTLNSOODKGOSSJ-UHFFFAOYSA-N
MW285.79 g/mol
LogP2.11
Rot. Bonds3

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

2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine (PubChem CID 63605224) has the molecular formula C14H21ClFN3 and a molecular weight of 285.79 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
PubChem CID63605224
Molecular FormulaC14H21ClFN3
Molecular Weight285.79 g/mol
Exact Mass285.14
IUPAC Name2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(Cl)c(F)c2)CCN1C
InChIInChI=1S/C14H21ClFN3/c1-10-9-19(6-5-18(10)2)14(8-17)11-3-4-12(15)13(16)7-11/h3-4,7,10,14H,5-6,8-9,17H2,1-2H3
InChIKeyOTLNSOODKGOSSJ-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

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Related Compounds

2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605366
2-(3,4-dimethylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65096479
2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605245
2-(3-chloro-5-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 114453410
2-(3,4-dimethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 63605581
2-(4-chloro-3-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62124067
2-(3,4-dimethylpiperazin-1-yl)-2-(3-ethoxyphenyl)ethanamine
CID 63605407
2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61225182
2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537191
2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 81145379
2-(3,4-dichlorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55248238
2-(3,4-dichlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43105682

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine (CID 63605224) is 2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine is CC1CN(C(CN)c2ccc(Cl)c(F)c2)CCN1C.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The InChIKey is OTLNSOODKGOSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN3/c1-10-9-19(6-5-18(10)2)14(8-17)11-3-4-12(15)13(16)7-11/h3-4,7,10,14H,5-6,8-9,17H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
2-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 63605224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).