2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol

C13H21FN2O — CID 54879383

IUPAC2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
SMILESCCCNCc1ccc(N(C)CCO)c(F)c1
InChIInChI=1S/C13H21FN2O/c1-3-6-15-10-11-4-5-13(12(14)9-11)16(2)7-8-17/h4-5,9,15,17H,3,6-8,10H2,1-2H3
InChIKeyFDMPIWZAZMYGCK-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.75
Rot. Bonds7

About 2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol

2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol (PubChem CID 54879383) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
PubChem CID54879383
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
SMILESCCCNCc1ccc(N(C)CCO)c(F)c1
InChIInChI=1S/C13H21FN2O/c1-3-6-15-10-11-4-5-13(12(14)9-11)16(2)7-8-17/h4-5,9,15,17H,3,6-8,10H2,1-2H3
InChIKeyFDMPIWZAZMYGCK-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol
CID 54879393
2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol
CID 60960608
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
CID 114848634
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
4-[2-[[4-fluoro-3-[2-hydroxyethyl(methyl)amino]phenyl]methylamino]ethyl]phenol
CID 84746988
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563618
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565230
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
CID 63058822
2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63551967
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol (CID 54879383) is 2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol is CCCNCc1ccc(N(C)CCO)c(F)c1.
What is the InChIKey of 2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol?
The InChIKey is FDMPIWZAZMYGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-6-15-10-11-4-5-13(12(14)9-11)16(2)7-8-17/h4-5,9,15,17H,3,6-8,10H2,1-2H3.
What are the key properties of 2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol?
2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol has a molecular weight of 240.32 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol is sourced from PubChem (CID 54879383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).