1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine

C13H21FN2 — CID 115222407

IUPAC1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCCc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-13(2,15-3)10-16-9-8-11-4-6-12(14)7-5-11/h4-7,15-16H,8-10H2,1-3H3
InChIKeyQLMWMRPQCJDPME-UHFFFAOYSA-N
MW224.32 g/mol
LogP1.96
Rot. Bonds6

About 1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine

1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115222407) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115222407
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCCc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-13(2,15-3)10-16-9-8-11-4-6-12(14)7-5-11/h4-7,15-16H,8-10H2,1-3H3
InChIKeyQLMWMRPQCJDPME-UHFFFAOYSA-N
XLogP1.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-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

N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60687515
1-N-[2-(4-ethylsulfanylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222457
N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209362
2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81410771
2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 112588597
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
CID 60886872
N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine
CID 43807567
2-aminopropanal;1-(4-fluorophenyl)-N,2-dimethylpropan-2-amine
CID 163242539
N-[(4-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 14599999

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine (CID 115222407) is 1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine is CNC(C)(C)CNCCc1ccc(F)cc1.
What is the InChIKey of 1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is QLMWMRPQCJDPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-13(2,15-3)10-16-9-8-11-4-6-12(14)7-5-11/h4-7,15-16H,8-10H2,1-3H3.
What are the key properties of 1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine?
1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115222407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).