1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine

C23H25FN2 — CID 142707489

IUPAC1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine
SMILESFc1ccc(CN2CCC(NCCc3cccc4ccccc34)C2)cc1
InChIInChI=1S/C23H25FN2/c24-21-10-8-18(9-11-21)16-26-15-13-22(17-26)25-14-12-20-6-3-5-19-4-1-2-7-23(19)20/h1-11,22,25H,12-17H2
InChIKeyHSUQUEYKHISZBL-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.39
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine

1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine (PubChem CID 142707489) has the molecular formula C23H25FN2 and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine
PubChem CID142707489
Molecular FormulaC23H25FN2
Molecular Weight348.47 g/mol
Exact Mass348.20
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine
SMILESFc1ccc(CN2CCC(NCCc3cccc4ccccc34)C2)cc1
InChIInChI=1S/C23H25FN2/c24-21-10-8-18(9-11-21)16-26-15-13-22(17-26)25-14-12-20-6-3-5-19-4-1-2-7-23(19)20/h1-11,22,25H,12-17H2
InChIKeyHSUQUEYKHISZBL-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine
CID 142707470
(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
CID 59641914
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
N-(2-naphthalen-1-ylethyl)piperidin-4-amine
CID 115118495
1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121
1-(naphthalen-1-ylmethyl)-N-propylpiperidin-4-amine
CID 60820486
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 30034860
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine (CID 142707489) is 1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine is Fc1ccc(CN2CCC(NCCc3cccc4ccccc34)C2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine?
The InChIKey is HSUQUEYKHISZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2/c24-21-10-8-18(9-11-21)16-26-15-13-22(17-26)25-14-12-20-6-3-5-19-4-1-2-7-23(19)20/h1-11,22,25H,12-17H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine?
1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine has a molecular weight of 348.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 142707489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).