4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol

C14H13F2NO — CID 82296847

IUPAC4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol
SMILESNCCc1ccc(O)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2NO/c15-12-3-2-10(8-13(12)16)11-7-9(5-6-17)1-4-14(11)18/h1-4,7-8,18H,5-6,17H2
InChIKeyHNEUJEOCBRXROP-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.84
Rot. Bonds3

About 4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol

4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol (PubChem CID 82296847) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol
PubChem CID82296847
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol
SMILESNCCc1ccc(O)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2NO/c15-12-3-2-10(8-13(12)16)11-7-9(5-6-17)1-4-14(11)18/h1-4,7-8,18H,5-6,17H2
InChIKeyHNEUJEOCBRXROP-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine
CID 82107251
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
CID 115046585
CID 159860777
CID 159860777
4-(2-aminoethyl)benzene-1,2-diol;nickel
CID 175198518
4-(2-aminoethyl)benzene-1,2-diol;methane
CID 175755753
N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
3-(3,4-difluorophenyl)-4-fluoroaniline
CID 104781175
strontium;4-(2-aminoethyl)benzene-1,2-diol;hydride
CID 174942711
4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol
CID 68897164
4-(2-aminoethyl)-2-(2-chlorophenyl)phenol;hydrochloride
CID 163801229

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol?
The IUPAC name of 4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol (CID 82296847) is 4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol.
What is the SMILES notation for 4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol?
The canonical SMILES for 4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol is NCCc1ccc(O)c(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol?
The InChIKey is HNEUJEOCBRXROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-12-3-2-10(8-13(12)16)11-7-9(5-6-17)1-4-14(11)18/h1-4,7-8,18H,5-6,17H2.
What are the key properties of 4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol?
4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol has a molecular weight of 249.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-(3,4-difluorophenyl)phenol is sourced from PubChem (CID 82296847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).