N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline

C14H23FN2 — CID 43284569

IUPACN-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline
SMILESCCN(c1cccc(F)c1C(C)NC)C(C)C
InChIInChI=1S/C14H23FN2/c1-6-17(10(2)3)13-9-7-8-12(15)14(13)11(4)16-5/h7-11,16H,6H2,1-5H3
InChIKeyWMDKHGCJMILIBY-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.34
Rot. Bonds5

About N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline

N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline (PubChem CID 43284569) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline
PubChem CID43284569
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline
SMILESCCN(c1cccc(F)c1C(C)NC)C(C)C
InChIInChI=1S/C14H23FN2/c1-6-17(10(2)3)13-9-7-8-12(15)14(13)11(4)16-5/h7-11,16H,6H2,1-5H3
InChIKeyWMDKHGCJMILIBY-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 78939528
(1R)-1-[2-[ethyl(propan-2-yl)amino]-6-fluorophenyl]ethanol
CID 63370786
N-(2-ethoxyethyl)-N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]aniline
CID 63697732
(1S)-1-[2-fluoro-6-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanol
CID 55183938
1-[2-[butan-2-yl(ethyl)amino]-6-fluorophenyl]ethanol
CID 43506187
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 43569240
N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline
CID 43284613
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
3-[3-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]anilino]propanenitrile
CID 63285199
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
N-ethyl-3-fluoro-N-(2-methoxyethyl)-2-[1-(propylamino)ethyl]aniline
CID 61446087
N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine
CID 63170648

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline?
The IUPAC name of N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline (CID 43284569) is N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline.
What is the SMILES notation for N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline?
The canonical SMILES for N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline is CCN(c1cccc(F)c1C(C)NC)C(C)C.
What is the InChIKey of N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline?
The InChIKey is WMDKHGCJMILIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-6-17(10(2)3)13-9-7-8-12(15)14(13)11(4)16-5/h7-11,16H,6H2,1-5H3.
What are the key properties of N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline?
N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline has a molecular weight of 238.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-2-[1-(methylamino)ethyl]-N-propan-2-ylaniline is sourced from PubChem (CID 43284569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).