1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine

C9H13F2N3 — CID 82506193

IUPAC1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine
SMILESCN(CCN)c1c(F)cc(N)cc1F
InChIInChI=1S/C9H13F2N3/c1-14(3-2-12)9-7(10)4-6(13)5-8(9)11/h4-5H,2-3,12-13H2,1H3
InChIKeyDLBMBWQEBCIRGV-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.94
Rot. Bonds3

About 1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine

1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine (PubChem CID 82506193) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine
PubChem CID82506193
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine
SMILESCN(CCN)c1c(F)cc(N)cc1F
InChIInChI=1S/C9H13F2N3/c1-14(3-2-12)9-7(10)4-6(13)5-8(9)11/h4-5H,2-3,12-13H2,1H3
InChIKeyDLBMBWQEBCIRGV-UHFFFAOYSA-N
XLogP0.94
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-aminoethyl(methyl)amino]-3,5-difluorobenzonitrile
CID 81294307
1-(4-amino-2,6-difluoro-N-methylanilino)-3-methoxypropan-2-ol
CID 54993188
1-N-[(3-chlorophenyl)methyl]-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 61413666
N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 19855595
N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 112675382
N'-[4-(chloromethyl)-2,6-difluorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63699002
2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 55001105
N'-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 62593517
2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 54985046
3-(4-amino-2,6-difluoro-N-methylanilino)butanenitrile
CID 63225579
3-[4-(aminomethyl)-2,6-difluoro-N-methylanilino]-N-methylpropanamide
CID 106914423
1-N-(2-aminoethyl)-2-chloro-1-N-methylbenzene-1,4-diamine
CID 82506047

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine (CID 82506193) is 1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine is CN(CCN)c1c(F)cc(N)cc1F.
What is the InChIKey of 1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine?
The InChIKey is DLBMBWQEBCIRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-14(3-2-12)9-7(10)4-6(13)5-8(9)11/h4-5H,2-3,12-13H2,1H3.
What are the key properties of 1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine?
1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine has a molecular weight of 201.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 82506193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).