N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline

C15H25FN2 — CID 43281990

IUPACN-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline
SMILESCCNCc1ccc(N(CC)CC(C)C)c(F)c1
InChIInChI=1S/C15H25FN2/c1-5-17-10-13-7-8-15(14(16)9-13)18(6-2)11-12(3)4/h7-9,12,17H,5-6,10-11H2,1-4H3
InChIKeyKSDLPHVHJYZFQF-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.42
Rot. Bonds7

About N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline

N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline (PubChem CID 43281990) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline
PubChem CID43281990
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline
SMILESCCNCc1ccc(N(CC)CC(C)C)c(F)c1
InChIInChI=1S/C15H25FN2/c1-5-17-10-13-7-8-15(14(16)9-13)18(6-2)11-12(3)4/h7-9,12,17H,5-6,10-11H2,1-4H3
InChIKeyKSDLPHVHJYZFQF-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.42
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-methyl-N-(2-methylpropyl)aniline
CID 62121360
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
N-ethyl-2-fluoro-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline
CID 79480652
4-(bromomethyl)-N-ethyl-2-fluoro-N-(2-methylpropyl)aniline
CID 107080080
1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol
CID 111440118
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516
4-[(tert-butylamino)methyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79481530
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 63964432
N,N-diethyl-4-(ethylaminomethyl)-2-propan-2-yloxyaniline
CID 84750453
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline?
The IUPAC name of N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline (CID 43281990) is N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline.
What is the SMILES notation for N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline?
The canonical SMILES for N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline is CCNCc1ccc(N(CC)CC(C)C)c(F)c1.
What is the InChIKey of N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline?
The InChIKey is KSDLPHVHJYZFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-17-10-13-7-8-15(14(16)9-13)18(6-2)11-12(3)4/h7-9,12,17H,5-6,10-11H2,1-4H3.
What are the key properties of N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline?
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline has a molecular weight of 252.38 g/mol, XLogP of 3.42, 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-(2-methylpropyl)aniline is sourced from PubChem (CID 43281990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).