1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine

C14H21FN2 — CID 62645202

IUPAC1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
SMILESCC1CCN(CCC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2/c1-11-6-8-17(10-11)9-7-14(16)12-2-4-13(15)5-3-12/h2-5,11,14H,6-10,16H2,1H3
InChIKeyZDGMDNDYYTVIDI-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.56
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine

1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine (PubChem CID 62645202) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
PubChem CID62645202
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
SMILESCC1CCN(CCC(N)c2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2/c1-11-6-8-17(10-11)9-7-14(16)12-2-4-13(15)5-3-12/h2-5,11,14H,6-10,16H2,1H3
InChIKeyZDGMDNDYYTVIDI-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643869
1-(4-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16643559
1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375
1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218
1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 65281721
2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol
CID 82685405
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643800
3-(2-ethylpyrrolidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645120
N-ethyl-1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62644087
1-(4-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62644970
1-[2-amino-2-(4-fluorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 107521053

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine (CID 62645202) is 1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine is CC1CCN(CCC(N)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is ZDGMDNDYYTVIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-6-8-17(10-11)9-7-14(16)12-2-4-13(15)5-3-12/h2-5,11,14H,6-10,16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine?
1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 62645202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).