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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Related Compounds

3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine
CID 114831349
2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
CID 114831676
2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
CID 114831138
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 114831398
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine
CID 84727871
2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831506
3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
CID 114835046
1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol
CID 84720909
2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831552

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).