2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine

C16H25FN2 — CID 114831591

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
SMILESCC1CN(C(C)(CN)Cc2ccccc2F)CC1C
InChIInChI=1S/C16H25FN2/c1-12-9-19(10-13(12)2)16(3,11-18)8-14-6-4-5-7-15(14)17/h4-7,12-13H,8-11,18H2,1-3H3
InChIKeyCGKKJWLWMSQJQY-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.67
Rot. Bonds4

About 2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine

2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 114831591) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
PubChem CID114831591
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
SMILESCC1CN(C(C)(CN)Cc2ccccc2F)CC1C
InChIInChI=1S/C16H25FN2/c1-12-9-19(10-13(12)2)16(3,11-18)8-14-6-4-5-7-15(14)17/h4-7,12-13H,8-11,18H2,1-3H3
InChIKeyCGKKJWLWMSQJQY-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine (CID 114831591) is 2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine is CC1CN(C(C)(CN)Cc2ccccc2F)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is CGKKJWLWMSQJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-9-19(10-13(12)2)16(3,11-18)8-14-6-4-5-7-15(14)17/h4-7,12-13H,8-11,18H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine?
2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 114831591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).