2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine

C16H18F2N2 — CID 114831552

IUPAC2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(CN)(Cc1ccccc1F)Nc1ccccc1F
InChIInChI=1S/C16H18F2N2/c1-16(11-19,10-12-6-2-3-7-13(12)17)20-15-9-5-4-8-14(15)18/h2-9,20H,10-11,19H2,1H3
InChIKeyKVKXDFFAIIUCIP-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.34
Rot. Bonds5

About 2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine

2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine (PubChem CID 114831552) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
PubChem CID114831552
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(CN)(Cc1ccccc1F)Nc1ccccc1F
InChIInChI=1S/C16H18F2N2/c1-16(11-19,10-12-6-2-3-7-13(12)17)20-15-9-5-4-8-14(15)18/h2-9,20H,10-11,19H2,1H3
InChIKeyKVKXDFFAIIUCIP-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroanilino)-3-(2-fluorophenyl)-2-methylpropan-1-ol
CID 114834230
3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine
CID 114831558
2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831540
2-N-(2-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831551
2-N-(2-fluorophenyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 65379404
2-N-(2-fluorophenyl)-2-methyloctane-1,2-diamine
CID 65376902
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
3-cyclobutyl-2-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 113490048
2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831506
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
3-(2-fluorophenyl)-2-N-hex-1-yn-3-yl-2-methylpropane-1,2-diamine
CID 106228166

Frequently Asked Questions

What is the IUPAC name of 2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine (CID 114831552) is 2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine is CC(CN)(Cc1ccccc1F)Nc1ccccc1F.
What is the InChIKey of 2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is KVKXDFFAIIUCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-16(11-19,10-12-6-2-3-7-13(12)17)20-15-9-5-4-8-14(15)18/h2-9,20H,10-11,19H2,1H3.
What are the key properties of 2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine?
2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine has a molecular weight of 276.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 114831552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).