N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine

C16H25FN2O — CID 82739889

IUPACN-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine
SMILESCCNC(C)c1ccc(N(C)C2CCOC2C)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-5-18-11(2)13-6-7-16(14(17)10-13)19(4)15-8-9-20-12(15)3/h6-7,10-12,15,18H,5,8-9H2,1-4H3
InChIKeyVZHXPMAJEKOTBT-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.11
Rot. Bonds5

About N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine

N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82739889) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine
PubChem CID82739889
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine
SMILESCCNC(C)c1ccc(N(C)C2CCOC2C)c(F)c1
InChIInChI=1S/C16H25FN2O/c1-5-18-11(2)13-6-7-16(14(17)10-13)19(4)15-8-9-20-12(15)3/h6-7,10-12,15,18H,5,8-9H2,1-4H3
InChIKeyVZHXPMAJEKOTBT-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284607
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614154
N-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]-N,2-dimethyloxolan-3-amine
CID 82968198
4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432233
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648817
N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine
CID 82740348
N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739891
(1S)-1-[3-chloro-4-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82742935
N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739979
N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine
CID 82739333
4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 82753671
4-[1-(ethylamino)ethyl]-2-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63532693

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine (CID 82739889) is N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine is CCNC(C)c1ccc(N(C)C2CCOC2C)c(F)c1.
What is the InChIKey of N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is VZHXPMAJEKOTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-18-11(2)13-6-7-16(14(17)10-13)19(4)15-8-9-20-12(15)3/h6-7,10-12,15,18H,5,8-9H2,1-4H3.
What are the key properties of N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine?
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 280.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82739889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).