1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine

C14H23FN4 — CID 83011747

IUPAC1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NN2CCN(C)CC2)cc1F
InChIInChI=1S/C14H23FN4/c1-11-3-4-12(9-13(11)15)14(10-16)17-19-7-5-18(2)6-8-19/h3-4,9,14,17H,5-8,10,16H2,1-2H3
InChIKeyTVFGEXPOLWQGGF-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.89
Rot. Bonds4

About 1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine

1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine (PubChem CID 83011747) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
PubChem CID83011747
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)NN2CCN(C)CC2)cc1F
InChIInChI=1S/C14H23FN4/c1-11-3-4-12(9-13(11)15)14(10-16)17-19-7-5-18(2)6-8-19/h3-4,9,14,17H,5-8,10,16H2,1-2H3
InChIKeyTVFGEXPOLWQGGF-UHFFFAOYSA-N
XLogP0.89
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine 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

1-(3-fluoro-4-methoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83010716
1-(4-bromo-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011981
1-(4-methoxy-3-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83012185
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011011
N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83011013
N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 83010902
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 65383732
N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83012078
N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 83010621
1-(3-fluoro-4-methylphenyl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697233
1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011979
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-methylpiperazin-1-amine
CID 83069233

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine (CID 83011747) is 1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine is Cc1ccc(C(CN)NN2CCN(C)CC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
The InChIKey is TVFGEXPOLWQGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-11-3-4-12(9-13(11)15)14(10-16)17-19-7-5-18(2)6-8-19/h3-4,9,14,17H,5-8,10,16H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine?
1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine has a molecular weight of 266.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 83011747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).