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

C14H23FN2 — CID 115202816

IUPACN-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
SMILESCC(CCN)CN(C)CCc1ccc(F)cc1
InChIInChI=1S/C14H23FN2/c1-12(7-9-16)11-17(2)10-8-13-3-5-14(15)6-4-13/h3-6,12H,7-11,16H2,1-2H3
InChIKeyUSRNZSIJVGAKLB-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.28
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine (PubChem CID 115202816) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
PubChem CID115202816
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
SMILESCC(CCN)CN(C)CCc1ccc(F)cc1
InChIInChI=1S/C14H23FN2/c1-12(7-9-16)11-17(2)10-8-13-3-5-14(15)6-4-13/h3-6,12H,7-11,16H2,1-2H3
InChIKeyUSRNZSIJVGAKLB-UHFFFAOYSA-N
XLogP2.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
CID 115121707
1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
CID 115199612
N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202853
N'-[2-(4-fluorophenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 94259582
N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202640
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202831
4-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79003663
N-[(4-chlorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544192
2-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254681
4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 115156145
3-[2-(4-fluorophenyl)ethyl-methylamino]propane-1,2-diol
CID 115122383
N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 115198892

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine (CID 115202816) is N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine is CC(CCN)CN(C)CCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine?
The InChIKey is USRNZSIJVGAKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-12(7-9-16)11-17(2)10-8-13-3-5-14(15)6-4-13/h3-6,12H,7-11,16H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine?
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115202816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).