5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol

C16H27FN2O — CID 107200509

IUPAC5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol
SMILESCCNC(C)c1c(F)cccc1N(C)CCCCCO
InChIInChI=1S/C16H27FN2O/c1-4-18-13(2)16-14(17)9-8-10-15(16)19(3)11-6-5-7-12-20/h8-10,13,18,20H,4-7,11-12H2,1-3H3
InChIKeyVXZRZDAUDGDZPI-UHFFFAOYSA-N
MW282.40 g/mol
LogP3.10
Rot. Bonds9

About 5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol

5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol (PubChem CID 107200509) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is 5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol
PubChem CID107200509
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC Name5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol
SMILESCCNC(C)c1c(F)cccc1N(C)CCCCCO
InChIInChI=1S/C16H27FN2O/c1-4-18-13(2)16-14(17)9-8-10-15(16)19(3)11-6-5-7-12-20/h8-10,13,18,20H,4-7,11-12H2,1-3H3
InChIKeyVXZRZDAUDGDZPI-UHFFFAOYSA-N
XLogP3.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.10
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

N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline
CID 43284613
3-fluoro-N-(3-methoxypropyl)-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 63009989
(1R)-1-[2-[butyl(methyl)amino]-6-fluorophenyl]ethanol
CID 63371580
(1R)-1-[2-fluoro-6-[2-hydroxyethyl(methyl)amino]phenyl]ethanol
CID 63371010
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767
2-[1-(ethylamino)ethyl]-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 61426442
N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline
CID 43569241
5-(3-fluoro-N-methyl-2-nitroanilino)pentan-1-ol
CID 107201821
N-[(5-bromothiophen-3-yl)methyl]-2-[1-(ethylamino)ethyl]-3-fluoro-N-methylaniline
CID 63532085
5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol
CID 107200460
5-[2-fluoro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]pentan-1-ol
CID 107200857

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol?
The IUPAC name of 5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol (CID 107200509) is 5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol.
What is the SMILES notation for 5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol?
The canonical SMILES for 5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol is CCNC(C)c1c(F)cccc1N(C)CCCCCO.
What is the InChIKey of 5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol?
The InChIKey is VXZRZDAUDGDZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-4-18-13(2)16-14(17)9-8-10-15(16)19(3)11-6-5-7-12-20/h8-10,13,18,20H,4-7,11-12H2,1-3H3.
What are the key properties of 5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol?
5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol has a molecular weight of 282.40 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(ethylamino)ethyl]-3-fluoro-N-methylanilino]pentan-1-ol is sourced from PubChem (CID 107200509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).