2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine

C14H21FN2 — CID 62134804

IUPAC2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
SMILESCc1cc(F)ccc1C(CN)N1CCC(C)C1
InChIInChI=1S/C14H21FN2/c1-10-5-6-17(9-10)14(8-16)13-4-3-12(15)7-11(13)2/h3-4,7,10,14H,5-6,8-9,16H2,1-2H3
InChIKeyYNHSMCKRPPMURX-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.48
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine

2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine (PubChem CID 62134804) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
PubChem CID62134804
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
SMILESCc1cc(F)ccc1C(CN)N1CCC(C)C1
InChIInChI=1S/C14H21FN2/c1-10-5-6-17(9-10)14(8-16)13-4-3-12(15)7-11(13)2/h3-4,7,10,14H,5-6,8-9,16H2,1-2H3
InChIKeyYNHSMCKRPPMURX-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine (CID 62134804) is 2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine is Cc1cc(F)ccc1C(CN)N1CCC(C)C1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is YNHSMCKRPPMURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-5-6-17(9-10)14(8-16)13-4-3-12(15)7-11(13)2/h3-4,7,10,14H,5-6,8-9,16H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 62134804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).