2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine

C13H20F2N2 — CID 55229077

IUPAC2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine
SMILESCCN(CC(C)C)c1ccc(N)cc1C(F)F
InChIInChI=1S/C13H20F2N2/c1-4-17(8-9(2)3)12-6-5-10(16)7-11(12)13(14)15/h5-7,9,13H,4,8,16H2,1-3H3
InChIKeyVJGRAMPLXUJBSI-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.69
Rot. Bonds5

About 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine

2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine (PubChem CID 55229077) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine
PubChem CID55229077
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine
SMILESCCN(CC(C)C)c1ccc(N)cc1C(F)F
InChIInChI=1S/C13H20F2N2/c1-4-17(8-9(2)3)12-6-5-10(16)7-11(12)13(14)15/h5-7,9,13H,4,8,16H2,1-3H3
InChIKeyVJGRAMPLXUJBSI-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 79478202
2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine
CID 63749183
2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 79483856
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 63734268
2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol
CID 63735480
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
CID 78935741
3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine
CID 39241461
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 63734628
1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane
CID 170720348
4-bromo-N-ethyl-2-[1-(ethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 82972419
2-[4-amino-2-(difluoromethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 63734078
5-amino-2-[bis(2-methylpropyl)amino]benzoic acid
CID 61376744

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine (CID 55229077) is 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine is CCN(CC(C)C)c1ccc(N)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine?
The InChIKey is VJGRAMPLXUJBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-4-17(8-9(2)3)12-6-5-10(16)7-11(12)13(14)15/h5-7,9,13H,4,8,16H2,1-3H3.
What are the key properties of 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine has a molecular weight of 242.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 55229077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).