3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine

C10H16FN3 — CID 115119608

IUPAC3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine
SMILESCN(CC(N)CN)c1ccccc1F
InChIInChI=1S/C10H16FN3/c1-14(7-8(13)6-12)10-5-3-2-4-9(10)11/h2-5,8H,6-7,12-13H2,1H3
InChIKeyRGXQCRXGDNKHCU-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.55
Rot. Bonds4

About 3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine

3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine (PubChem CID 115119608) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine
PubChem CID115119608
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine
SMILESCN(CC(N)CN)c1ccccc1F
InChIInChI=1S/C10H16FN3/c1-14(7-8(13)6-12)10-5-3-2-4-9(10)11/h2-5,8H,6-7,12-13H2,1H3
InChIKeyRGXQCRXGDNKHCU-UHFFFAOYSA-N
XLogP0.55
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine 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-[(2-fluoro-N-methylanilino)methyl]butan-1-ol
CID 115250709
N-(3-bromo-2-phenylpropyl)-2-fluoro-N-methylaniline
CID 65015357
2-fluoro-N-methyl-N-propylaniline
CID 67818828
3-N-(4-methoxy-2,3-dimethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119560
N'-(5-chloro-2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115198408
2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol
CID 110924112
2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 79515809
3-N-(2-chloro-4-methoxyphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119564
3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
CID 62629313
3-N-[(5-chloro-2-fluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119872
1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505636
3-N-(4-ethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119487

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine?
The IUPAC name of 3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine (CID 115119608) is 3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine.
What is the SMILES notation for 3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine?
The canonical SMILES for 3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine is CN(CC(N)CN)c1ccccc1F.
What is the InChIKey of 3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine?
The InChIKey is RGXQCRXGDNKHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-14(7-8(13)6-12)10-5-3-2-4-9(10)11/h2-5,8H,6-7,12-13H2,1H3.
What are the key properties of 3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine?
3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine has a molecular weight of 197.26 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine is sourced from PubChem (CID 115119608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).