4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline

C17H21FN2 — CID 63784239

IUPAC4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline
SMILESCc1cc(N(C)Cc2cccc(F)c2)ccc1CCN
InChIInChI=1S/C17H21FN2/c1-13-10-17(7-6-15(13)8-9-19)20(2)12-14-4-3-5-16(18)11-14/h3-7,10-11H,8-9,12,19H2,1-2H3
InChIKeyURZAOUAONUALEK-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.27
Rot. Bonds5

About 4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline

4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline (PubChem CID 63784239) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline
PubChem CID63784239
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline
SMILESCc1cc(N(C)Cc2cccc(F)c2)ccc1CCN
InChIInChI=1S/C17H21FN2/c1-13-10-17(7-6-15(13)8-9-19)20(2)12-14-4-3-5-16(18)11-14/h3-7,10-11H,8-9,12,19H2,1-2H3
InChIKeyURZAOUAONUALEK-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 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 ≤ 53.27
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-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline
CID 55237346
4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 62945834
4-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylaniline
CID 63785395
4-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81274312
2-fluoro-4-[(3-fluorophenyl)methyl-methylamino]benzoic acid
CID 115485286
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 62300674
4-(chloromethyl)-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 28946499
4-[(1S)-1-aminoethyl]-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 28802643
N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
4-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N,3-dimethylaniline
CID 81273319
2-(aminomethyl)-4-fluoro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 43313878
4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline
CID 63786193

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline?
The IUPAC name of 4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline (CID 63784239) is 4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline is Cc1cc(N(C)Cc2cccc(F)c2)ccc1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline?
The InChIKey is URZAOUAONUALEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13-10-17(7-6-15(13)8-9-19)20(2)12-14-4-3-5-16(18)11-14/h3-7,10-11H,8-9,12,19H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline?
4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(3-fluorophenyl)methyl]-N,3-dimethylaniline is sourced from PubChem (CID 63784239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).