4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol

C17H20FNO — CID 114829509

IUPAC4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol
SMILESCC(Cc1ccccc1F)NCCc1ccc(O)cc1
InChIInChI=1S/C17H20FNO/c1-13(12-15-4-2-3-5-17(15)18)19-11-10-14-6-8-16(20)9-7-14/h2-9,13,19-20H,10-12H2,1H3
InChIKeyMPXHGVSRBHUIEP-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.29
Rot. Bonds6

About 4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol

4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol (PubChem CID 114829509) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol
PubChem CID114829509
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol
SMILESCC(Cc1ccccc1F)NCCc1ccc(O)cc1
InChIInChI=1S/C17H20FNO/c1-13(12-15-4-2-3-5-17(15)18)19-11-10-14-6-8-16(20)9-7-14/h2-9,13,19-20H,10-12H2,1H3
InChIKeyMPXHGVSRBHUIEP-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301
4-[2-[2-(2-methylphenyl)ethylamino]propyl]phenol
CID 115494436
N-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 23824143
3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
CID 115591783
3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
CID 114829658
N-[1-(2-fluorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 114830878
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 43767012
4-[2-[1-[3,4-dimethyl-2-[(Z)-prop-1-enyl]phenyl]propan-2-ylamino]ethyl]phenol
CID 145300143
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
3-fluoro-4-[2-[4-(4-fluorophenyl)butan-2-ylamino]ethyl]phenol
CID 57026283

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol?
The IUPAC name of 4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol (CID 114829509) is 4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol is CC(Cc1ccccc1F)NCCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol?
The InChIKey is MPXHGVSRBHUIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(12-15-4-2-3-5-17(15)18)19-11-10-14-6-8-16(20)9-7-14/h2-9,13,19-20H,10-12H2,1H3.
What are the key properties of 4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol?
4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol has a molecular weight of 273.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2-fluorophenyl)propan-2-ylamino]ethyl]phenol is sourced from PubChem (CID 114829509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).