N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine

C17H30FN3 — CID 102994142

IUPACN'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1cc(C)c(F)cc1C(C)NC
InChIInChI=1S/C17H30FN3/c1-7-21(10-8-9-20(5)6)17-11-13(2)16(18)12-15(17)14(3)19-4/h11-12,14,19H,7-10H2,1-6H3
InChIKeyDOUCWTNGPGSQKJ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.19
Rot. Bonds8

About N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine

N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine (PubChem CID 102994142) has the molecular formula C17H30FN3 and a molecular weight of 295.45 g/mol. Its IUPAC name is N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine
PubChem CID102994142
Molecular FormulaC17H30FN3
Molecular Weight295.45 g/mol
Exact Mass295.24
IUPAC NameN'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1cc(C)c(F)cc1C(C)NC
InChIInChI=1S/C17H30FN3/c1-7-21(10-8-9-20(5)6)17-11-13(2)16(18)12-15(17)14(3)19-4/h11-12,14,19H,7-10H2,1-6H3
InChIKeyDOUCWTNGPGSQKJ-UHFFFAOYSA-N
XLogP3.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine (CID 102994142) is N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)c1cc(C)c(F)cc1C(C)NC.
What is the InChIKey of N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine?
The InChIKey is DOUCWTNGPGSQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30FN3/c1-7-21(10-8-9-20(5)6)17-11-13(2)16(18)12-15(17)14(3)19-4/h11-12,14,19H,7-10H2,1-6H3.
What are the key properties of N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine?
N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine has a molecular weight of 295.45 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[4-fluoro-5-methyl-2-[1-(methylamino)ethyl]phenyl]-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102994142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).