4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol

C14H21FN2O — CID 107720760

IUPAC4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol
SMILESCCN(C1CCNC1)C(C)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O/c1-3-17(11-6-7-16-9-11)10(2)13-5-4-12(18)8-14(13)15/h4-5,8,10-11,16,18H,3,6-7,9H2,1-2H3
InChIKeyTUJXSCOSUAGFGW-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.28
Rot. Bonds4

About 4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol

4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol (PubChem CID 107720760) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol
PubChem CID107720760
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol
SMILESCCN(C1CCNC1)C(C)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O/c1-3-17(11-6-7-16-9-11)10(2)13-5-4-12(18)8-14(13)15/h4-5,8,10-11,16,18H,3,6-7,9H2,1-2H3
InChIKeyTUJXSCOSUAGFGW-UHFFFAOYSA-N
XLogP2.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299279
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63644320
N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299507
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]pyrrolidin-3-amine
CID 114080634
N-[1-(4-bromo-2-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 82970177
3-fluoro-4-[1-[methyl-[4-(methylamino)cyclohexyl]amino]ethyl]phenol
CID 107720804
5-fluoro-2-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636382
4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115999
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]benzene-1,3-diol
CID 107711416
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol
CID 107721166
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 63301494

Frequently Asked Questions

What is the IUPAC name of 4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol (CID 107720760) is 4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol is CCN(C1CCNC1)C(C)c1ccc(O)cc1F.
What is the InChIKey of 4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol?
The InChIKey is TUJXSCOSUAGFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-17(11-6-7-16-9-11)10(2)13-5-4-12(18)8-14(13)15/h4-5,8,10-11,16,18H,3,6-7,9H2,1-2H3.
What are the key properties of 4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol?
4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol has a molecular weight of 252.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol is sourced from PubChem (CID 107720760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).