2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine

C15H24FN3 — CID 62885714

IUPAC2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine
SMILESCN(C)CC1CCCN1C(CN)c1cccc(F)c1
InChIInChI=1S/C15H24FN3/c1-18(2)11-14-7-4-8-19(14)15(10-17)12-5-3-6-13(16)9-12/h3,5-6,9,14-15H,4,7-8,10-11,17H2,1-2H3
InChIKeyBYMUTYDCRMMIKC-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.85
Rot. Bonds5

About 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine

2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine (PubChem CID 62885714) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine
PubChem CID62885714
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine
SMILESCN(C)CC1CCCN1C(CN)c1cccc(F)c1
InChIInChI=1S/C15H24FN3/c1-18(2)11-14-7-4-8-19(14)15(10-17)12-5-3-6-13(16)9-12/h3,5-6,9,14-15H,4,7-8,10-11,17H2,1-2H3
InChIKeyBYMUTYDCRMMIKC-UHFFFAOYSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62886589
2-(4-bromo-3-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 81436524
2-[1-[2-amino-1-(3-fluorophenyl)ethyl]piperidin-2-yl]ethanol
CID 55020773
2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 114843143
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822274
2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62887499
1-[1-[1-(3-fluorophenyl)propyl]piperidin-2-yl]-N-methylmethanamine
CID 114872104
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine
CID 62884895
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine
CID 103440552
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266358

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine (CID 62885714) is 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine is CN(C)CC1CCCN1C(CN)c1cccc(F)c1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine?
The InChIKey is BYMUTYDCRMMIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-18(2)11-14-7-4-8-19(14)15(10-17)12-5-3-6-13(16)9-12/h3,5-6,9,14-15H,4,7-8,10-11,17H2,1-2H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine?
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine has a molecular weight of 265.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 62885714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).