5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol

C15H25FN2O — CID 107201266

IUPAC5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol
SMILESCCNCc1cc(F)ccc1N(C)CCCCCO
InChIInChI=1S/C15H25FN2O/c1-3-17-12-13-11-14(16)7-8-15(13)18(2)9-5-4-6-10-19/h7-8,11,17,19H,3-6,9-10,12H2,1-2H3
InChIKeyMWPHCFGTGVFYKD-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.53
Rot. Bonds9

About 5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol

5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol (PubChem CID 107201266) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol
PubChem CID107201266
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol
SMILESCCNCc1cc(F)ccc1N(C)CCCCCO
InChIInChI=1S/C15H25FN2O/c1-3-17-12-13-11-14(16)7-8-15(13)18(2)9-5-4-6-10-19/h7-8,11,17,19H,3-6,9-10,12H2,1-2H3
InChIKeyMWPHCFGTGVFYKD-UHFFFAOYSA-N
XLogP2.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[N-butyl-2-(ethylaminomethyl)-4-fluoroanilino]ethanol
CID 61447090
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
CID 60961049
N,N-dibutyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 43313896
N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313735
2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
CID 113426132
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 61416913
N'-[4-fluoro-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63698685
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 43313953
N-butan-2-yl-N-butyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 63551014
N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63700949
5-[4-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
CID 107201198

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol?
The IUPAC name of 5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol (CID 107201266) is 5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol.
What is the SMILES notation for 5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol?
The canonical SMILES for 5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol is CCNCc1cc(F)ccc1N(C)CCCCCO.
What is the InChIKey of 5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol?
The InChIKey is MWPHCFGTGVFYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-3-17-12-13-11-14(16)7-8-15(13)18(2)9-5-4-6-10-19/h7-8,11,17,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of 5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol?
5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol is sourced from PubChem (CID 107201266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).