2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

C13H21FN2O — CID 102876592

IUPAC2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CNC(C)CN(C)C)c(F)c1
InChIInChI=1S/C13H21FN2O/c1-10(9-16(2)3)15-8-11-5-6-12(17-4)7-13(11)14/h5-7,10,15H,8-9H2,1-4H3
InChIKeyIQGFYOUREDIMQK-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.87
Rot. Bonds6

About 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 102876592) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID102876592
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CNC(C)CN(C)C)c(F)c1
InChIInChI=1S/C13H21FN2O/c1-10(9-16(2)3)15-8-11-5-6-12(17-4)7-13(11)14/h5-7,10,15H,8-9H2,1-4H3
InChIKeyIQGFYOUREDIMQK-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
CID 102883068
4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 113357039
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 103757279
2-N-[(6-methoxynaphthalen-2-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944857
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
1-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylpentan-3-amine
CID 114177538
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
CID 107814945
3-[(2-fluoro-4-methoxyphenyl)methylamino]-2-methylsulfanylbutan-1-ol
CID 106160629
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252
3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 102876674
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
2-N-[(5-bromo-2-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944908

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 102876592) is 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is COc1ccc(CNC(C)CN(C)C)c(F)c1.
What is the InChIKey of 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is IQGFYOUREDIMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10(9-16(2)3)15-8-11-5-6-12(17-4)7-13(11)14/h5-7,10,15H,8-9H2,1-4H3.
What are the key properties of 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 240.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 102876592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).