2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine

C12H19FN2 — CID 65378955

IUPAC2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine
SMILESCC(C)(C)C(CN)Nc1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-12(2,3)11(8-14)15-10-6-4-9(13)5-7-10/h4-7,11,15H,8,14H2,1-3H3
InChIKeyBJVZQRHCNHXVCG-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.61
Rot. Bonds3

About 2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine

2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine (PubChem CID 65378955) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine
PubChem CID65378955
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine
SMILESCC(C)(C)C(CN)Nc1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-12(2,3)11(8-14)15-10-6-4-9(13)5-7-10/h4-7,11,15H,8,14H2,1-3H3
InChIKeyBJVZQRHCNHXVCG-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine (CID 65378955) is 2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine is CC(C)(C)C(CN)Nc1ccc(F)cc1.
What is the InChIKey of 2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine?
The InChIKey is BJVZQRHCNHXVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-12(2,3)11(8-14)15-10-6-4-9(13)5-7-10/h4-7,11,15H,8,14H2,1-3H3.
What are the key properties of 2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine?
2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 65378955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).