N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C14H22F2N2 — CID 62636418

IUPACN-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(NCCN(C)C(C)C)c1c(F)cccc1F
InChIInChI=1S/C14H22F2N2/c1-10(2)18(4)9-8-17-11(3)14-12(15)6-5-7-13(14)16/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyRXERBHOVNVEOCE-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.96
Rot. Bonds6

About N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62636418) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62636418
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(NCCN(C)C(C)C)c1c(F)cccc1F
InChIInChI=1S/C14H22F2N2/c1-10(2)18(4)9-8-17-11(3)14-12(15)6-5-7-13(14)16/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyRXERBHOVNVEOCE-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 62636418) is N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CC(NCCN(C)C(C)C)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is RXERBHOVNVEOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-10(2)18(4)9-8-17-11(3)14-12(15)6-5-7-13(14)16/h5-7,10-11,17H,8-9H2,1-4H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62636418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).