2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine

C11H16F2N2 — CID 103389171

IUPAC2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine
SMILESCC(CN)NC(C)c1c(F)cccc1F
InChIInChI=1S/C11H16F2N2/c1-7(6-14)15-8(2)11-9(12)4-3-5-10(11)13/h3-5,7-8,15H,6,14H2,1-2H3
InChIKeyMVMMXDRAIQQFQL-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.96
Rot. Bonds4

About 2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine

2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine (PubChem CID 103389171) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine
PubChem CID103389171
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine
SMILESCC(CN)NC(C)c1c(F)cccc1F
InChIInChI=1S/C11H16F2N2/c1-7(6-14)15-8(2)11-9(12)4-3-5-10(11)13/h3-5,7-8,15H,6,14H2,1-2H3
InChIKeyMVMMXDRAIQQFQL-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine
CID 43101920
N-[1-(2,6-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191829
N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine
CID 43746058
1-(4-bromophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-2-amine
CID 43695741
2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253650
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43201964
(2R)-2-N-[(2,6-difluorophenyl)methyl]propane-1,2-diamine
CID 104868138
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine
CID 112695750
ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate
CID 54960329
N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine
CID 82684718
3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol
CID 65337460

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine (CID 103389171) is 2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine is CC(CN)NC(C)c1c(F)cccc1F.
What is the InChIKey of 2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine?
The InChIKey is MVMMXDRAIQQFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-7(6-14)15-8(2)11-9(12)4-3-5-10(11)13/h3-5,7-8,15H,6,14H2,1-2H3.
What are the key properties of 2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine?
2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine has a molecular weight of 214.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 103389171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).