N-ethyl-N-fluoro-4-methylaniline

C9H12FN — CID 139619766

IUPACN-ethyl-N-fluoro-4-methylaniline
SMILESCCN(F)c1ccc(C)cc1
InChIInChI=1S/C9H12FN/c1-3-11(10)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKeyTZEACZDLHCBXBC-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.71
Rot. Bonds2

About N-ethyl-N-fluoro-4-methylaniline

N-ethyl-N-fluoro-4-methylaniline (PubChem CID 139619766) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is N-ethyl-N-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-ethyl-N-fluoro-4-methylaniline
PubChem CID139619766
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC NameN-ethyl-N-fluoro-4-methylaniline
SMILESCCN(F)c1ccc(C)cc1
InChIInChI=1S/C9H12FN/c1-3-11(10)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKeyTZEACZDLHCBXBC-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.71
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

ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
N-ethyl-N,4-dimethylaniline
CID 3036494
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
N-fluoro-4-methyl-N-(2-phenylethyl)aniline
CID 57039494
1-N,1-N-diethyl-3-N-(4-methylphenyl)-3-N-[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
CID 20761234
N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 10262797
bis(N,N-diethylethanamine);1,4-xylene;dihydrochloride
CID 173431091
N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline
CID 59105713
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 23557767
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-fluoro-4-methylaniline?
The IUPAC name of N-ethyl-N-fluoro-4-methylaniline (CID 139619766) is N-ethyl-N-fluoro-4-methylaniline.
What is the SMILES notation for N-ethyl-N-fluoro-4-methylaniline?
The canonical SMILES for N-ethyl-N-fluoro-4-methylaniline is CCN(F)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-fluoro-4-methylaniline?
The InChIKey is TZEACZDLHCBXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-3-11(10)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3.
What are the key properties of N-ethyl-N-fluoro-4-methylaniline?
N-ethyl-N-fluoro-4-methylaniline has a molecular weight of 153.20 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-fluoro-4-methylaniline is sourced from PubChem (CID 139619766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).