N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine

C16H19FN2O — CID 4267478

IUPACN-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
SMILESFc1ccccc1-n1cccc1CNCC1CCCO1
InChIInChI=1S/C16H19FN2O/c17-15-7-1-2-8-16(15)19-9-3-5-13(19)11-18-12-14-6-4-10-20-14/h1-3,5,7-9,14,18H,4,6,10-12H2
InChIKeyACFWCXRDQSABGQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.88
Rot. Bonds5

About N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine

N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 4267478) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
PubChem CID4267478
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
SMILESFc1ccccc1-n1cccc1CNCC1CCCO1
InChIInChI=1S/C16H19FN2O/c17-15-7-1-2-8-16(15)19-9-3-5-13(19)11-18-12-14-6-4-10-20-14/h1-3,5,7-9,14,18H,4,6,10-12H2
InChIKeyACFWCXRDQSABGQ-UHFFFAOYSA-N
XLogP2.88
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine (CID 4267478) is N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine is Fc1ccccc1-n1cccc1CNCC1CCCO1.
What is the InChIKey of N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is ACFWCXRDQSABGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-15-7-1-2-8-16(15)19-9-3-5-13(19)11-18-12-14-6-4-10-20-14/h1-3,5,7-9,14,18H,4,6,10-12H2.
What are the key properties of N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine?
N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 274.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 4267478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).