3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine

C17H21FN2 — CID 114831558

IUPAC3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine
SMILESCc1ccc(NC(C)(CN)Cc2ccccc2F)cc1
InChIInChI=1S/C17H21FN2/c1-13-7-9-15(10-8-13)20-17(2,12-19)11-14-5-3-4-6-16(14)18/h3-10,20H,11-12,19H2,1-2H3
InChIKeyIZYITNBSQTWBNR-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.51
Rot. Bonds5

About 3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine

3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine (PubChem CID 114831558) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine
PubChem CID114831558
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine
SMILESCc1ccc(NC(C)(CN)Cc2ccccc2F)cc1
InChIInChI=1S/C17H21FN2/c1-13-7-9-15(10-8-13)20-17(2,12-19)11-14-5-3-4-6-16(14)18/h3-10,20H,11-12,19H2,1-2H3
InChIKeyIZYITNBSQTWBNR-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831540
2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831552
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831506
2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 106508546
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
4-methoxy-2-methyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 65376497
3-(2-fluorophenyl)-2-N-hex-1-yn-3-yl-2-methylpropane-1,2-diamine
CID 106228166
2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
CID 65377345
2-(2-fluoroanilino)-3-(2-fluorophenyl)-2-methylpropan-1-ol
CID 114834230
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
CID 114835046

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine (CID 114831558) is 3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine is Cc1ccc(NC(C)(CN)Cc2ccccc2F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine?
The InChIKey is IZYITNBSQTWBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13-7-9-15(10-8-13)20-17(2,12-19)11-14-5-3-4-6-16(14)18/h3-10,20H,11-12,19H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine?
3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine has a molecular weight of 272.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 114831558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).