N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline

C17H21FN2 — CID 43772756

IUPACN-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NC(C)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H21FN2/c1-12-5-10-16(18)17(11-12)19-13(2)14-6-8-15(9-7-14)20(3)4/h5-11,13,19H,1-4H3
InChIKeyYTFLONFNPLGXLG-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.37
Rot. Bonds4

About N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline

N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline (PubChem CID 43772756) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline
PubChem CID43772756
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NC(C)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H21FN2/c1-12-5-10-16(18)17(11-12)19-13(2)14-6-8-15(9-7-14)20(3)4/h5-11,13,19H,1-4H3
InChIKeyYTFLONFNPLGXLG-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluoro-5-methylaniline
CID 43122776
2,4-dichloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43758692
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236
5-chloro-N-[1-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 43381921
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoro-5-methylaniline
CID 43772760
2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline
CID 43122780
4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105143249
4-(dimethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 78769182
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoroaniline
CID 43772875
1-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43778749
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline?
The IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline (CID 43772756) is N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline.
What is the SMILES notation for N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline?
The canonical SMILES for N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline is Cc1ccc(F)c(NC(C)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline?
The InChIKey is YTFLONFNPLGXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-12-5-10-16(18)17(11-12)19-13(2)14-6-8-15(9-7-14)20(3)4/h5-11,13,19H,1-4H3.
What are the key properties of N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline?
N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline has a molecular weight of 272.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoro-5-methylaniline is sourced from PubChem (CID 43772756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).