2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine

C16H26F2N2 — CID 79483856

IUPAC2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine
SMILESCCC(CC)N(CC(C)C)c1ccc(N)cc1C(F)F
InChIInChI=1S/C16H26F2N2/c1-5-13(6-2)20(10-11(3)4)15-8-7-12(19)9-14(15)16(17)18/h7-9,11,13,16H,5-6,10,19H2,1-4H3
InChIKeySKOCJUFCFQPLAK-UHFFFAOYSA-N
MW284.39 g/mol
LogP4.86
Rot. Bonds7

About 2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine

2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine (PubChem CID 79483856) has the molecular formula C16H26F2N2 and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine
PubChem CID79483856
Molecular FormulaC16H26F2N2
Molecular Weight284.39 g/mol
Exact Mass284.21
IUPAC Name2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine
SMILESCCC(CC)N(CC(C)C)c1ccc(N)cc1C(F)F
InChIInChI=1S/C16H26F2N2/c1-5-13(6-2)20(10-11(3)4)15-8-7-12(19)9-14(15)16(17)18/h7-9,11,13,16H,5-6,10,19H2,1-4H3
InChIKeySKOCJUFCFQPLAK-UHFFFAOYSA-N
XLogP4.86
TPSA29.26 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 ≤ 54.86
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

2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 63734628
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 55229077
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 79478202
2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol
CID 63735480
2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine
CID 63749183
2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79489813
3-fluoro-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,2-diamine
CID 79483525
2-(bromomethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 107084455
2-N-(2-methylpropyl)-2-N-pentan-3-yl-1,3-benzoxazole-2,5-diamine
CID 79891209
2-(1-aminoethyl)-5-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 82968396
2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 114889739
2-(chloromethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79483553

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine (CID 79483856) is 2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine is CCC(CC)N(CC(C)C)c1ccc(N)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine?
The InChIKey is SKOCJUFCFQPLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2/c1-5-13(6-2)20(10-11(3)4)15-8-7-12(19)9-14(15)16(17)18/h7-9,11,13,16H,5-6,10,19H2,1-4H3.
What are the key properties of 2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine?
2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine has a molecular weight of 284.39 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine is sourced from PubChem (CID 79483856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).