1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine

C16H26F2N2 — CID 79063285

IUPAC1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
SMILESCCNC(Cc1cccc(F)c1F)C(C)(CC)N(C)C
InChIInChI=1S/C16H26F2N2/c1-6-16(3,20(4)5)14(19-7-2)11-12-9-8-10-13(17)15(12)18/h8-10,14,19H,6-7,11H2,1-5H3
InChIKeyCTITXDLQCHCRIX-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.22
Rot. Bonds7

About 1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine

1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine (PubChem CID 79063285) has the molecular formula C16H26F2N2 and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
PubChem CID79063285
Molecular FormulaC16H26F2N2
Molecular Weight284.39 g/mol
Exact Mass284.21
IUPAC Name1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
SMILESCCNC(Cc1cccc(F)c1F)C(C)(CC)N(C)C
InChIInChI=1S/C16H26F2N2/c1-6-16(3,20(4)5)14(19-7-2)11-12-9-8-10-13(17)15(12)18/h8-10,14,19H,6-7,11H2,1-5H3
InChIKeyCTITXDLQCHCRIX-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79064460
1-(2-bromo-5-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063287
1-(3-bromo-4-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063157
1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 114932249
1-(2-bromo-6-fluorophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 114559964
1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 105020510
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 79517373
1-(4-bromophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79064098
1-(5-bromothiophen-2-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063659
1-(2,3-difluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79052980
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864310

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine?
The IUPAC name of 1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine (CID 79063285) is 1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine is CCNC(Cc1cccc(F)c1F)C(C)(CC)N(C)C.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine?
The InChIKey is CTITXDLQCHCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2/c1-6-16(3,20(4)5)14(19-7-2)11-12-9-8-10-13(17)15(12)18/h8-10,14,19H,6-7,11H2,1-5H3.
What are the key properties of 1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine?
1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine has a molecular weight of 284.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine is sourced from PubChem (CID 79063285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).