3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine

C17H28FN3 — CID 114831398

IUPAC3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
SMILESCN1CCC(CN(C)C(C)(CN)Cc2ccccc2F)C1
InChIInChI=1S/C17H28FN3/c1-17(13-19,10-15-6-4-5-7-16(15)18)21(3)12-14-8-9-20(2)11-14/h4-7,14H,8-13,19H2,1-3H3
InChIKeyRZRKHGPLQHXZPY-UHFFFAOYSA-N
MW293.43 g/mol
LogP1.97
Rot. Bonds6

About 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine

3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine (PubChem CID 114831398) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
PubChem CID114831398
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
SMILESCN1CCC(CN(C)C(C)(CN)Cc2ccccc2F)C1
InChIInChI=1S/C17H28FN3/c1-17(13-19,10-15-6-4-5-7-16(15)18)21(3)12-14-8-9-20(2)11-14/h4-7,14H,8-13,19H2,1-3H3
InChIKeyRZRKHGPLQHXZPY-UHFFFAOYSA-N
XLogP1.97
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine
CID 63274527
2-N-(cyclopropylmethyl)-2-N,2-dimethyl-3-phenylpropane-1,2-diamine
CID 114993617
2-N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831150
3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine
CID 114831349
[3-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]methanol
CID 114067493
2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
CID 114831591
3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84746068
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
CID 63233337
2-(2-aminoethyl)-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63783264
3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 114831111
2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831363

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine (CID 114831398) is 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine is CN1CCC(CN(C)C(C)(CN)Cc2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine?
The InChIKey is RZRKHGPLQHXZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-17(13-19,10-15-6-4-5-7-16(15)18)21(3)12-14-8-9-20(2)11-14/h4-7,14H,8-13,19H2,1-3H3.
What are the key properties of 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine?
3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine has a molecular weight of 293.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 114831398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).