1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine

C15H25FN2 — CID 55019117

IUPAC1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
SMILESCCC(C)CN(C)C(c1ccccc1F)C(C)N
InChIInChI=1S/C15H25FN2/c1-5-11(2)10-18(4)15(12(3)17)13-8-6-7-9-14(13)16/h6-9,11-12,15H,5,10,17H2,1-4H3
InChIKeyOESQSRAWTYNETQ-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.19
Rot. Bonds6

About 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine

1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine (PubChem CID 55019117) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
PubChem CID55019117
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
SMILESCCC(C)CN(C)C(c1ccccc1F)C(C)N
InChIInChI=1S/C15H25FN2/c1-5-11(2)10-18(4)15(12(3)17)13-8-6-7-9-14(13)16/h6-9,11-12,15H,5,10,17H2,1-4H3
InChIKeyOESQSRAWTYNETQ-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-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-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylbutyl)propane-1,2-diamine
CID 79477287
1-(2-fluorophenyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79489988
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55019021
1-(2-fluorophenyl)-1-N-methyl-1-N-propylbutane-1,2-diamine
CID 55018970
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79475888
3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol
CID 113468603
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55019022
2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 43295960
5-[[2-amino-1-(2-fluorophenyl)butyl]-methylamino]pentan-1-ol
CID 107198264
1-(2-fluorophenyl)propan-1-amine
CID 18439474
N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide
CID 103101337

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine (CID 55019117) is 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine is CCC(C)CN(C)C(c1ccccc1F)C(C)N.
What is the InChIKey of 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine?
The InChIKey is OESQSRAWTYNETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-11(2)10-18(4)15(12(3)17)13-8-6-7-9-14(13)16/h6-9,11-12,15H,5,10,17H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine?
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 55019117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).