2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline

C15H23FN2 — CID 63864988

IUPAC2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCNC(C)c1ccc(N(C)CC2CC2C)c(F)c1
InChIInChI=1S/C15H23FN2/c1-10-7-13(10)9-18(4)15-6-5-12(8-14(15)16)11(2)17-3/h5-6,8,10-11,13,17H,7,9H2,1-4H3
InChIKeyZOACEWJYCVUJDE-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.20
Rot. Bonds5

About 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline

2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline (PubChem CID 63864988) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
PubChem CID63864988
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCNC(C)c1ccc(N(C)CC2CC2C)c(F)c1
InChIInChI=1S/C15H23FN2/c1-10-7-13(10)9-18(4)15-6-5-12(8-14(15)16)11(2)17-3/h5-6,8,10-11,13,17H,7,9H2,1-4H3
InChIKeyZOACEWJYCVUJDE-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.20
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

2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411745
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 43284213
N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 61417200
2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol
CID 102863575
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442079
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660633
3-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
CID 114069158
(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63682288
1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol
CID 63866230
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 114851500
4-(1-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63630716
4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432233

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline?
The IUPAC name of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline (CID 63864988) is 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline?
The canonical SMILES for 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline is CNC(C)c1ccc(N(C)CC2CC2C)c(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline?
The InChIKey is ZOACEWJYCVUJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-10-7-13(10)9-18(4)15-6-5-12(8-14(15)16)11(2)17-3/h5-6,8,10-11,13,17H,7,9H2,1-4H3.
What are the key properties of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline?
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline has a molecular weight of 250.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline is sourced from PubChem (CID 63864988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).