1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine

C14H21FN2 — CID 62643379

IUPAC1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
SMILESCC1CCCN1CCC(N)c1ccccc1F
InChIInChI=1S/C14H21FN2/c1-11-5-4-9-17(11)10-8-14(16)12-6-2-3-7-13(12)15/h2-3,6-7,11,14H,4-5,8-10,16H2,1H3
InChIKeyUHUCWIUBRUKWGM-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.70
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine

1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine (PubChem CID 62643379) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
PubChem CID62643379
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
SMILESCC1CCCN1CCC(N)c1ccccc1F
InChIInChI=1S/C14H21FN2/c1-11-5-4-9-17(11)10-8-14(16)12-6-2-3-7-13(12)15/h2-3,6-7,11,14H,4-5,8-10,16H2,1H3
InChIKeyUHUCWIUBRUKWGM-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine
CID 143151495
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 63635824
2-(2-ethylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanamine
CID 114058265
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 83126482
1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-amine
CID 62643929
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
[1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol
CID 62644418
1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62643582
3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 65281767
1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474862
1-(2-bromophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62625055
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643618

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine (CID 62643379) is 1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine is CC1CCCN1CCC(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is UHUCWIUBRUKWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-5-4-9-17(11)10-8-14(16)12-6-2-3-7-13(12)15/h2-3,6-7,11,14H,4-5,8-10,16H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine?
1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 62643379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).