1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine

C13H21FN2 — CID 115199612

IUPAC1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
SMILESCC(N)CCN(C)CCc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-11(15)7-9-16(2)10-8-12-3-5-13(14)6-4-12/h3-6,11H,7-10,15H2,1-2H3
InChIKeyGPZMMNYASPXXEG-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.04
Rot. Bonds6

About 1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine

1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine (PubChem CID 115199612) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
PubChem CID115199612
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
SMILESCC(N)CCN(C)CCc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-11(15)7-9-16(2)10-8-12-3-5-13(14)6-4-12/h3-6,11H,7-10,15H2,1-2H3
InChIKeyGPZMMNYASPXXEG-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide
CID 115156807
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
N'-[2-(4-fluorophenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 94259582
5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115199666
2-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254681
3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine
CID 70090592
1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136234
1-N-methyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]butane-1,3-diamine
CID 115199389
1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
CID 115121707
3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
CID 115122383
1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487482

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine (CID 115199612) is 1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine is CC(N)CCN(C)CCc1ccc(F)cc1.
What is the InChIKey of 1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine?
The InChIKey is GPZMMNYASPXXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-11(15)7-9-16(2)10-8-12-3-5-13(14)6-4-12/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of 1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine?
1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 115199612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).