4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline

C15H25FN2 — CID 63964432

IUPAC4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCNCc1ccc(N(C)C(C)(C)CC)c(F)c1
InChIInChI=1S/C15H25FN2/c1-6-15(3,4)18(5)14-9-8-12(10-13(14)16)11-17-7-2/h8-10,17H,6-7,11H2,1-5H3
InChIKeyDGPLLQZUOBCVBY-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.56
Rot. Bonds6

About 4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline

4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline (PubChem CID 63964432) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline
PubChem CID63964432
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline
SMILESCCNCc1ccc(N(C)C(C)(C)CC)c(F)c1
InChIInChI=1S/C15H25FN2/c1-6-15(3,4)18(5)14-9-8-12(10-13(14)16)11-17-7-2/h8-10,17H,6-7,11H2,1-5H3
InChIKeyDGPLLQZUOBCVBY-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.56
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-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline
CID 43281990
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutan-2-yl)aniline
CID 81149934
N-(cyclobutylmethyl)-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 62860466
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112662347
2-bromo-N-methyl-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)aniline
CID 114062831
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528450
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516
N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 79187108

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline?
The IUPAC name of 4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline (CID 63964432) is 4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline?
The canonical SMILES for 4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline is CCNCc1ccc(N(C)C(C)(C)CC)c(F)c1.
What is the InChIKey of 4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline?
The InChIKey is DGPLLQZUOBCVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-6-15(3,4)18(5)14-9-8-12(10-13(14)16)11-17-7-2/h8-10,17H,6-7,11H2,1-5H3.
What are the key properties of 4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline?
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline has a molecular weight of 252.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(2-methylbutan-2-yl)aniline is sourced from PubChem (CID 63964432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).