2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine

C16H25FN2 — CID 114831157

IUPAC2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
SMILESCCC1CCCN1C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-3-15-8-5-9-19(15)16(2,12-18)11-13-6-4-7-14(17)10-13/h4,6-7,10,15H,3,5,8-9,11-12,18H2,1-2H3
InChIKeyYDVJDCNCVCOLJI-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine

2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 114831157) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
PubChem CID114831157
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
SMILESCCC1CCCN1C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-3-15-8-5-9-19(15)16(2,12-18)11-13-6-4-7-14(17)10-13/h4,6-7,10,15H,3,5,8-9,11-12,18H2,1-2H3
InChIKeyYDVJDCNCVCOLJI-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dimethylthiomorpholin-4-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
CID 114831741
2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
CID 114831451
3-(3-fluorophenyl)-2-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine
CID 114831170
2-(2,3-dimethylpiperidin-1-yl)-3-(4-fluorophenyl)-2-methylpropan-1-amine
CID 114831347
2-cyclopentyl-1-(3-fluorophenyl)propan-2-amine
CID 114834091
2-N-cyclohexyl-2-N-ethyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831000
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
CID 114831379
2-(2-ethylpiperidin-1-yl)-2-methylnonan-1-amine
CID 43266378
2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831415
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114831771

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine (CID 114831157) is 2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine is CCC1CCCN1C(C)(CN)Cc1cccc(F)c1.
What is the InChIKey of 2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is YDVJDCNCVCOLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-15-8-5-9-19(15)16(2,12-18)11-13-6-4-7-14(17)10-13/h4,6-7,10,15H,3,5,8-9,11-12,18H2,1-2H3.
What are the key properties of 2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine?
2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 114831157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).