1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine

C13H19FN2 — CID 82286973

IUPAC1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
SMILESCN(C)C(c1ccc(F)cc1)C1CCCN1
InChIInChI=1S/C13H19FN2/c1-16(2)13(12-4-3-9-15-12)10-5-7-11(14)8-6-10/h5-8,12-13,15H,3-4,9H2,1-2H3
InChIKeyANYAOXINHGXKKU-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.18
Rot. Bonds3

About 1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine

1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 82286973) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
PubChem CID82286973
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
SMILESCN(C)C(c1ccc(F)cc1)C1CCCN1
InChIInChI=1S/C13H19FN2/c1-16(2)13(12-4-3-9-15-12)10-5-7-11(14)8-6-10/h5-8,12-13,15H,3-4,9H2,1-2H3
InChIKeyANYAOXINHGXKKU-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82296423
N,N-dimethyl-1-pyrrolidin-2-yl-1-(2,3,4-trimethylphenyl)methanamine
CID 116906341
(4-fluorophenyl)-piperidin-2-ylmethanamine
CID 116935636
1-(2,4-dimethylphenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82289931
(2S)-2-(4-fluorophenyl)-2-[(2S)-piperidin-2-yl]acetic acid
CID 10657508
N-[1-(4-fluorophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54869659
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine
CID 83911335
N,N-dimethyl-1-phenyl-1-piperazin-2-ylmethanamine
CID 90936858
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950939

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine (CID 82286973) is 1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine is CN(C)C(c1ccc(F)cc1)C1CCCN1.
What is the InChIKey of 1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine?
The InChIKey is ANYAOXINHGXKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16(2)13(12-4-3-9-15-12)10-5-7-11(14)8-6-10/h5-8,12-13,15H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine?
1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 82286973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).