N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride

C14H23ClF2N2 — CID 119928811

IUPACN'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
SMILESCC(c1cc(F)ccc1F)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C14H22F2N2.ClH/c1-10(18(4)9-14(2,3)8-17)12-7-11(15)5-6-13(12)16;/h5-7,10H,8-9,17H2,1-4H3;1H
InChIKeyFPUGTJXSNOBDCR-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.36
Rot. Bonds5

About N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride

N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride (PubChem CID 119928811) has the molecular formula C14H23ClF2N2 and a molecular weight of 292.80 g/mol. Its IUPAC name is N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
PubChem CID119928811
Molecular FormulaC14H23ClF2N2
Molecular Weight292.80 g/mol
Exact Mass292.15
IUPAC NameN'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
SMILESCC(c1cc(F)ccc1F)N(C)CC(C)(C)CN.Cl
InChIInChI=1S/C14H22F2N2.ClH/c1-10(18(4)9-14(2,3)8-17)12-7-11(15)5-6-13(12)16;/h5-7,10H,8-9,17H2,1-4H3;1H
InChIKeyFPUGTJXSNOBDCR-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride (CID 119928811) is N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride is CC(c1cc(F)ccc1F)N(C)CC(C)(C)CN.Cl.
What is the InChIKey of N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
The InChIKey is FPUGTJXSNOBDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2.ClH/c1-10(18(4)9-14(2,3)8-17)12-7-11(15)5-6-13(12)16;/h5-7,10H,8-9,17H2,1-4H3;1H.
What are the key properties of N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 292.80 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 119928811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).