N-fluoro-4-methyl-N-(2-phenylethyl)aniline

C15H16FN — CID 57039494

IUPACN-fluoro-4-methyl-N-(2-phenylethyl)aniline
SMILESCc1ccc(N(F)CCc2ccccc2)cc1
InChIInChI=1S/C15H16FN/c1-13-7-9-15(10-8-13)17(16)12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyLSOQCCLDEFLRQK-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.93
Rot. Bonds4

About N-fluoro-4-methyl-N-(2-phenylethyl)aniline

N-fluoro-4-methyl-N-(2-phenylethyl)aniline (PubChem CID 57039494) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is N-fluoro-4-methyl-N-(2-phenylethyl)aniline.

Molecular Properties

Compound NameN-fluoro-4-methyl-N-(2-phenylethyl)aniline
PubChem CID57039494
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC NameN-fluoro-4-methyl-N-(2-phenylethyl)aniline
SMILESCc1ccc(N(F)CCc2ccccc2)cc1
InChIInChI=1S/C15H16FN/c1-13-7-9-15(10-8-13)17(16)12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyLSOQCCLDEFLRQK-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N-(2-phenylethyl)hydroxylamine
CID 57021705
N,N'-difluoro-N,N'-diphenylethane-1,2-diamine
CID 87330644
N-(benzhydrylideneamino)-4-methyl-N-(2-phenylethyl)aniline
CID 86640682
N-ethyl-N-fluoro-4-methylaniline
CID 139619766
N-(4-ethylphenyl)-4-methyl-N-phenylaniline
CID 58800452
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
2-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580118
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
benzene;propylbenzene;toluene
CID 142060228
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781

Frequently Asked Questions

What is the IUPAC name of N-fluoro-4-methyl-N-(2-phenylethyl)aniline?
The IUPAC name of N-fluoro-4-methyl-N-(2-phenylethyl)aniline (CID 57039494) is N-fluoro-4-methyl-N-(2-phenylethyl)aniline.
What is the SMILES notation for N-fluoro-4-methyl-N-(2-phenylethyl)aniline?
The canonical SMILES for N-fluoro-4-methyl-N-(2-phenylethyl)aniline is Cc1ccc(N(F)CCc2ccccc2)cc1.
What is the InChIKey of N-fluoro-4-methyl-N-(2-phenylethyl)aniline?
The InChIKey is LSOQCCLDEFLRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-13-7-9-15(10-8-13)17(16)12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of N-fluoro-4-methyl-N-(2-phenylethyl)aniline?
N-fluoro-4-methyl-N-(2-phenylethyl)aniline has a molecular weight of 229.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4-methyl-N-(2-phenylethyl)aniline is sourced from PubChem (CID 57039494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).