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

C15H23FN2 — CID 43569234

IUPACN-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1cc(F)ccc1N(C)C(C)C1CC1
InChIInChI=1S/C15H23FN2/c1-10(17-3)14-9-13(16)7-8-15(14)18(4)11(2)12-5-6-12/h7-12,17H,5-6H2,1-4H3
InChIKeyCOMDIURZHXGHEJ-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.34
Rot. Bonds5

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

N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline (PubChem CID 43569234) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
PubChem CID43569234
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1cc(F)ccc1N(C)C(C)C1CC1
InChIInChI=1S/C15H23FN2/c1-10(17-3)14-9-13(16)7-8-15(14)18(4)11(2)12-5-6-12/h7-12,17H,5-6H2,1-4H3
InChIKeyCOMDIURZHXGHEJ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(1-cyclopropylethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82972503
N-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 43611306
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 43569240
2-[1-cyclopropylethyl(methyl)amino]-5-fluorobenzenecarbothioamide
CID 55232697
4-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 61413072
N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline
CID 61441356
4-[4-fluoro-N-methyl-2-[1-(methylamino)ethyl]anilino]benzonitrile
CID 62970546
4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411746
4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442129
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 43570195
N-(1-cyclopropylethyl)-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43569244
1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105396910

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline?
The IUPAC name of N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline (CID 43569234) is N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline?
The canonical SMILES for N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline is CNC(C)c1cc(F)ccc1N(C)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline?
The InChIKey is COMDIURZHXGHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-10(17-3)14-9-13(16)7-8-15(14)18(4)11(2)12-5-6-12/h7-12,17H,5-6H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline?
N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline has a molecular weight of 250.36 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-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 43569234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).