2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol

C14H17FN2O — CID 79100107

IUPAC2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol
SMILESCc1ccc(C)n1NCC(O)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-10-7-8-11(2)17(10)16-9-14(18)12-5-3-4-6-13(12)15/h3-8,14,16,18H,9H2,1-2H3
InChIKeyBWZGMXUOKPZXOO-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.52
Rot. Bonds4

About 2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol

2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol (PubChem CID 79100107) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol
PubChem CID79100107
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol
SMILESCc1ccc(C)n1NCC(O)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-10-7-8-11(2)17(10)16-9-14(18)12-5-3-4-6-13(12)15/h3-8,14,16,18H,9H2,1-2H3
InChIKeyBWZGMXUOKPZXOO-UHFFFAOYSA-N
XLogP2.52
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60896520
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CID 102905547
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683
(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
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CID 106285676
ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
CID 54937977
N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide
CID 111566124
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol
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CID 107165971

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol (CID 79100107) is 2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol is Cc1ccc(C)n1NCC(O)c1ccccc1F.
What is the InChIKey of 2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol?
The InChIKey is BWZGMXUOKPZXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10-7-8-11(2)17(10)16-9-14(18)12-5-3-4-6-13(12)15/h3-8,14,16,18H,9H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol?
2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol has a molecular weight of 248.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 79100107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).