N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine

C13H21FN2 — CID 115198892

IUPACN'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN)CN(C)CCc1cccc(F)c1
InChIInChI=1S/C13H21FN2/c1-11(9-15)10-16(2)7-6-12-4-3-5-13(14)8-12/h3-5,8,11H,6-7,9-10,15H2,1-2H3
InChIKeyNRONQHOEGPTGTK-UHFFFAOYSA-N
MW224.32 g/mol
LogP1.89
Rot. Bonds6

About N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine

N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine (PubChem CID 115198892) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
PubChem CID115198892
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
SMILESCC(CN)CN(C)CCc1cccc(F)c1
InChIInChI=1S/C13H21FN2/c1-11(9-15)10-16(2)7-6-12-4-3-5-13(14)8-12/h3-5,8,11H,6-7,9-10,15H2,1-2H3
InChIKeyNRONQHOEGPTGTK-UHFFFAOYSA-N
XLogP1.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanoic acid
CID 115250452
N-[(3-fluorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544158
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol
CID 115251116
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
CID 117041691
N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202853
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
4-[2-(3-fluorophenyl)ethyl-methylamino]butanenitrile
CID 115232077
4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 115217920
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine
CID 79414838
methyl 4-[2-(3-fluorophenyl)ethyl-methylamino]-3-hydroxybutanoate
CID 115123467

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine (CID 115198892) is N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine is CC(CN)CN(C)CCc1cccc(F)c1.
What is the InChIKey of N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine?
The InChIKey is NRONQHOEGPTGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-11(9-15)10-16(2)7-6-12-4-3-5-13(14)8-12/h3-5,8,11H,6-7,9-10,15H2,1-2H3.
What are the key properties of N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine?
N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine has a molecular weight of 224.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115198892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).