4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline

C17H21FN2 — CID 63786177

IUPAC4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline
SMILESCCN(c1cccc(F)c1)c1ccc(CCN)cc1C
InChIInChI=1S/C17H21FN2/c1-3-20(16-6-4-5-15(18)12-16)17-8-7-14(9-10-19)11-13(17)2/h4-8,11-12H,3,9-10,19H2,1-2H3
InChIKeyPRVXAWLSTJIHFH-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.79
Rot. Bonds5

About 4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline

4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline (PubChem CID 63786177) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline
PubChem CID63786177
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline
SMILESCCN(c1cccc(F)c1)c1ccc(CCN)cc1C
InChIInChI=1S/C17H21FN2/c1-3-20(16-6-4-5-15(18)12-16)17-8-7-14(9-10-19)11-13(17)2/h4-8,11-12H,3,9-10,19H2,1-2H3
InChIKeyPRVXAWLSTJIHFH-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline
CID 62122777
2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol
CID 95473071
4-(2-aminoethyl)-2-chloro-N-ethyl-N-phenylaniline
CID 81166285
4-(2-aminoethyl)-2-chloro-N-ethyl-N-(2-methylphenyl)aniline
CID 81165834
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695
4-(2-aminoethyl)-N,N,2-trimethylaniline
CID 18543495
3-(2-aminoethyl)-N,N-diethylaniline
CID 82402430
4-(2-aminobutyl)-N-(3-fluorophenyl)-N,2-dimethylaniline
CID 63817754
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 60929448
4-(2-aminoethyl)-N-butyl-N-ethyl-2-methylaniline
CID 63782866
4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline
CID 63786193
4-(2-aminoethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)aniline
CID 79482768

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline?
The IUPAC name of 4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline (CID 63786177) is 4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline is CCN(c1cccc(F)c1)c1ccc(CCN)cc1C.
What is the InChIKey of 4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline?
The InChIKey is PRVXAWLSTJIHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-20(16-6-4-5-15(18)12-16)17-8-7-14(9-10-19)11-13(17)2/h4-8,11-12H,3,9-10,19H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline?
4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.79, 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-ethyl-N-(3-fluorophenyl)-2-methylaniline is sourced from PubChem (CID 63786177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).