1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine

C14H21FN2 — CID 83986159

IUPAC1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine
SMILESCC(N)CC1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2/c1-11(16)8-13-6-7-17(10-13)9-12-2-4-14(15)5-3-12/h2-5,11,13H,6-10,16H2,1H3
InChIKeyGPFLXVILDBHYRP-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.38
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine

1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine (PubChem CID 83986159) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine
PubChem CID83986159
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine
SMILESCC(N)CC1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H21FN2/c1-11(16)8-13-6-7-17(10-13)9-12-2-4-14(15)5-3-12/h2-5,11,13H,6-10,16H2,1H3
InChIKeyGPFLXVILDBHYRP-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine
CID 83986174
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate
CID 83986142
4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]butan-2-amine
CID 83982798
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983298
1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine
CID 83982807
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-ol
CID 83983299
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate
CID 83983286
3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 81457034
1-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81491103
1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843387

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine (CID 83986159) is 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine is CC(N)CC1CCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine?
The InChIKey is GPFLXVILDBHYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(16)8-13-6-7-17(10-13)9-12-2-4-14(15)5-3-12/h2-5,11,13H,6-10,16H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine?
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine has a molecular weight of 236.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine is sourced from PubChem (CID 83986159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).