N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline

C14H23FN2 — CID 43281781

IUPACN-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
SMILESCCCN(CC)c1ccc(CNCC)cc1F
InChIInChI=1S/C14H23FN2/c1-4-9-17(6-3)14-8-7-12(10-13(14)15)11-16-5-2/h7-8,10,16H,4-6,9,11H2,1-3H3
InChIKeyPRBOAXYQVTYUFV-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.17
Rot. Bonds7

About N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline

N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline (PubChem CID 43281781) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline.

Molecular Properties

Compound NameN-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
PubChem CID43281781
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
SMILESCCCN(CC)c1ccc(CNCC)cc1F
InChIInChI=1S/C14H23FN2/c1-4-9-17(6-3)14-8-7-12(10-13(14)15)11-16-5-2/h7-8,10,16H,4-6,9,11H2,1-3H3
InChIKeyPRBOAXYQVTYUFV-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline
CID 43281990
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516
2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 60980506
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol
CID 111440118
4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline
CID 63551322
N-butyl-4-[(tert-butylamino)methyl]-N-ethyl-2-fluoroaniline
CID 63550946
3-[N-ethyl-5-(ethylaminomethyl)-2-fluoroanilino]propanoic acid
CID 84754002
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377
2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol
CID 60981186
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline?
The IUPAC name of N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline (CID 43281781) is N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline.
What is the SMILES notation for N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline?
The canonical SMILES for N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline is CCCN(CC)c1ccc(CNCC)cc1F.
What is the InChIKey of N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline?
The InChIKey is PRBOAXYQVTYUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-9-17(6-3)14-8-7-12(10-13(14)15)11-16-5-2/h7-8,10,16H,4-6,9,11H2,1-3H3.
What are the key properties of N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline?
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline has a molecular weight of 238.35 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline is sourced from PubChem (CID 43281781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).