2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine

C19H24FN3 — CID 16642714

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H24FN3/c1-15-2-4-16(5-3-15)19(14-21)23-12-10-22(11-13-23)18-8-6-17(20)7-9-18/h2-9,19H,10-14,21H2,1H3
InChIKeyJXKUKIWLDDBSBV-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.96
Rot. Bonds4

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine

2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine (PubChem CID 16642714) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
PubChem CID16642714
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(CN)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H24FN3/c1-15-2-4-16(5-3-15)19(14-21)23-12-10-22(11-13-23)18-8-6-17(20)7-9-18/h2-9,19H,10-14,21H2,1H3
InChIKeyJXKUKIWLDDBSBV-UHFFFAOYSA-N
XLogP2.96
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)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-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 16642461
2-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 82079666
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 79414716
1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-(4-fluorophenyl)piperazine
CID 110181954
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646
2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 16642722
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62776010
(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 9161175
2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 62089855
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 63156191

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine (CID 16642714) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine is Cc1ccc(C(CN)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine?
The InChIKey is JXKUKIWLDDBSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3/c1-15-2-4-16(5-3-15)19(14-21)23-12-10-22(11-13-23)18-8-6-17(20)7-9-18/h2-9,19H,10-14,21H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine?
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine has a molecular weight of 313.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 16642714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).