4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol

C13H18FNO — CID 107715210

IUPAC4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
SMILESCC(NCCC1CC1)c1ccc(O)cc1F
InChIInChI=1S/C13H18FNO/c1-9(15-7-6-10-2-3-10)12-5-4-11(16)8-13(12)14/h4-5,8-10,15-16H,2-3,6-7H2,1H3
InChIKeyKMBFJJDJHZYIQQ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.98
Rot. Bonds5

About 4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol

4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol (PubChem CID 107715210) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
PubChem CID107715210
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
SMILESCC(NCCC1CC1)c1ccc(O)cc1F
InChIInChI=1S/C13H18FNO/c1-9(15-7-6-10-2-3-10)12-5-4-11(16)8-13(12)14/h4-5,8-10,15-16H,2-3,6-7H2,1H3
InChIKeyKMBFJJDJHZYIQQ-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol
CID 107715127
4-[1-(2-cyclobutylethylamino)ethyl]benzene-1,3-diol
CID 113478638
3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
CID 107715334
5-bromo-2-[1-(2-cyclopropylethylamino)ethyl]phenol
CID 104583290
3-fluoro-4-[1-(2-methylsulfinylethylamino)ethyl]phenol
CID 107715438
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
CID 114515122
4-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008680
2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 106335344
4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol
CID 107715527
tert-butyl N-[4-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]butan-2-yl]carbamate
CID 107715517
4-[1-(2-cyclopentylethylamino)ethyl]phenol
CID 54932146
4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
CID 107715312

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol (CID 107715210) is 4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol is CC(NCCC1CC1)c1ccc(O)cc1F.
What is the InChIKey of 4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol?
The InChIKey is KMBFJJDJHZYIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(15-7-6-10-2-3-10)12-5-4-11(16)8-13(12)14/h4-5,8-10,15-16H,2-3,6-7H2,1H3.
What are the key properties of 4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol?
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol has a molecular weight of 223.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol is sourced from PubChem (CID 107715210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).