2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine

C13H20F2N2 — CID 55001105

IUPAC2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)CN(c1c(F)cc(N)cc1F)C(C)C
InChIInChI=1S/C13H20F2N2/c1-8(2)7-17(9(3)4)13-11(14)5-10(16)6-12(13)15/h5-6,8-9H,7,16H2,1-4H3
InChIKeyNOWCYKIURDPQSY-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.42
Rot. Bonds4

About 2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine

2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 55001105) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine
PubChem CID55001105
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)CN(c1c(F)cc(N)cc1F)C(C)C
InChIInChI=1S/C13H20F2N2/c1-8(2)7-17(9(3)4)13-11(14)5-10(16)6-12(13)15/h5-6,8-9H,7,16H2,1-4H3
InChIKeyNOWCYKIURDPQSY-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1-N-(2-methylpropyl)-1-N-propan-2-yl-5-propoxybenzene-1,2-diamine
CID 63591731
3,5-difluoro-4-(4-methylpentoxy)aniline
CID 61016685
4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
CID 62590529
4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline
CID 63050914
4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
CID 55148129
1-N-(2-aminoethyl)-2,6-difluoro-1-N-methylbenzene-1,4-diamine
CID 82506193
5-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylpyridine-2,3-diamine
CID 66280194
5-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylbenzene-1,3-diamine
CID 112648051
3-(4-amino-2,6-difluoro-N-methylanilino)butanenitrile
CID 63225579
3-fluoro-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,2-diamine
CID 79483525
5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 65020963
2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine
CID 79483689

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine (CID 55001105) is 2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine is CC(C)CN(c1c(F)cc(N)cc1F)C(C)C.
What is the InChIKey of 2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is NOWCYKIURDPQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-8(2)7-17(9(3)4)13-11(14)5-10(16)6-12(13)15/h5-6,8-9H,7,16H2,1-4H3.
What are the key properties of 2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine?
2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 242.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 55001105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).