4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline

C17H21FN2 — CID 43313686

IUPAC4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1cc(F)ccc1N(C)c1ccccc1
InChIInChI=1S/C17H21FN2/c1-13(2)19-12-14-11-15(18)9-10-17(14)20(3)16-7-5-4-6-8-16/h4-11,13,19H,12H2,1-3H3
InChIKeyJJMXXXJADXAMDT-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.09
Rot. Bonds5

About 4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline

4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline (PubChem CID 43313686) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
PubChem CID43313686
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)NCc1cc(F)ccc1N(C)c1ccccc1
InChIInChI=1S/C17H21FN2/c1-13(2)19-12-14-11-15(18)9-10-17(14)20(3)16-7-5-4-6-8-16/h4-11,13,19H,12H2,1-3H3
InChIKeyJJMXXXJADXAMDT-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-fluoro-2-(N-methylanilino)phenyl]methanol
CID 43313086
4-fluoro-N-methyl-N-(4-methylpentan-2-yl)-2-[(propan-2-ylamino)methyl]aniline
CID 63553420
4-fluoro-N-methyl-2-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 43527749
3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62461622
4-chloro-N-methyl-N-(3-methylphenyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114850493
N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073352
4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 61426639
4-fluoro-N-pentyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]aniline
CID 63551569
N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63814518
5-fluoro-N-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920255
N,3-dimethyl-N-(2-methylphenyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63552513
N-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline (CID 43313686) is 4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline is CC(C)NCc1cc(F)ccc1N(C)c1ccccc1.
What is the InChIKey of 4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline?
The InChIKey is JJMXXXJADXAMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13(2)19-12-14-11-15(18)9-10-17(14)20(3)16-7-5-4-6-8-16/h4-11,13,19H,12H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline?
4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline has a molecular weight of 272.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-phenyl-2-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 43313686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).