2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol

C16H27FN2O2 — CID 62643290

IUPAC2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCNC(CCN(CCO)CCO)c1cccc(F)c1
InChIInChI=1S/C16H27FN2O2/c1-2-7-18-16(14-4-3-5-15(17)13-14)6-8-19(9-11-20)10-12-21/h3-5,13,16,18,20-21H,2,6-12H2,1H3
InChIKeyBKHLBCZSVWGDAT-UHFFFAOYSA-N
MW298.40 g/mol
LogP1.54
Rot. Bonds11

About 2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol

2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 62643290) has the molecular formula C16H27FN2O2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID62643290
Molecular FormulaC16H27FN2O2
Molecular Weight298.40 g/mol
Exact Mass298.21
IUPAC Name2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCNC(CCN(CCO)CCO)c1cccc(F)c1
InChIInChI=1S/C16H27FN2O2/c1-2-7-18-16(14-4-3-5-15(17)13-14)6-8-19(9-11-20)10-12-21/h3-5,13,16,18,20-21H,2,6-12H2,1H3
InChIKeyBKHLBCZSVWGDAT-UHFFFAOYSA-N
XLogP1.54
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol 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

2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
CID 55099062
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 63482175
2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62618754
N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644965
4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine
CID 65095394
2-[[3-(5-fluoro-2-pyridinyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 83109308
2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643636
2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol
CID 62617730
1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79093220
1-(3-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105092665
N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol (CID 62643290) is 2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol is CCCNC(CCN(CCO)CCO)c1cccc(F)c1.
What is the InChIKey of 2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is BKHLBCZSVWGDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O2/c1-2-7-18-16(14-4-3-5-15(17)13-14)6-8-19(9-11-20)10-12-21/h3-5,13,16,18,20-21H,2,6-12H2,1H3.
What are the key properties of 2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol?
2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 298.40 g/mol, XLogP of 1.54, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-fluorophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 62643290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).