4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline

C17H21FN2 — CID 105377477

IUPAC4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline
SMILESCc1ccc(F)cc1CC(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H21FN2/c1-12-4-7-15(18)10-14(12)11-17(19)13-5-8-16(9-6-13)20(2)3/h4-10,17H,11,19H2,1-3H3
InChIKeyIYLNSDXSQXFKIW-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.44
Rot. Bonds4

About 4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline

4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline (PubChem CID 105377477) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline
PubChem CID105377477
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline
SMILESCc1ccc(F)cc1CC(N)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H21FN2/c1-12-4-7-15(18)10-14(12)11-17(19)13-5-8-16(9-6-13)20(2)3/h4-10,17H,11,19H2,1-3H3
InChIKeyIYLNSDXSQXFKIW-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 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 ≤ 53.44
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

4-[1-amino-2-(2-bromo-5-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105136786
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376976
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
2-(5-fluoro-2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 105373838
1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374267
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
4-[1-amino-2-(2-chloro-4-methylphenyl)ethyl]-N,N-dimethylaniline
CID 106867526
2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine
CID 105373657
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline (CID 105377477) is 4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline is Cc1ccc(F)cc1CC(N)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline?
The InChIKey is IYLNSDXSQXFKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-12-4-7-15(18)10-14(12)11-17(19)13-5-8-16(9-6-13)20(2)3/h4-10,17H,11,19H2,1-3H3.
What are the key properties of 4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline?
4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105377477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).