N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline

C17H21FN2 — CID 106532649

IUPACN-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)c2cc(F)cc(CCN)c2)c(C)c1
InChIInChI=1S/C17H21FN2/c1-12-4-5-17(13(2)8-12)20(3)16-10-14(6-7-19)9-15(18)11-16/h4-5,8-11H,6-7,19H2,1-3H3
InChIKeyGRWFEKVEQKYHIK-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.71
Rot. Bonds4

About N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline

N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline (PubChem CID 106532649) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline.

Molecular Properties

Compound NameN-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline
PubChem CID106532649
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)c2cc(F)cc(CCN)c2)c(C)c1
InChIInChI=1S/C17H21FN2/c1-12-4-5-17(13(2)8-12)20(3)16-10-14(6-7-19)9-15(18)11-16/h4-5,8-11H,6-7,19H2,1-3H3
InChIKeyGRWFEKVEQKYHIK-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-5-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 106530412
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 106532176
1-N-(2,4-dimethylphenyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62003179
4-(2-aminoethyl)-N,N,2-trimethylaniline
CID 18543495
4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline
CID 63786177
N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline
CID 107274862
4-(2-aminoethyl)-2,6-difluoro-N-(4-fluorophenyl)-N-methylaniline
CID 63787025
3-(2-aminoethyl)-N-ethyl-5-fluoro-N-(2-methoxyethyl)aniline
CID 106532625
3-fluoro-N-methyl-N-(2-methylphenyl)-5-(propylaminomethyl)aniline
CID 106532630
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 106532278
4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline
CID 81166461
N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline
CID 55190482

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline?
The IUPAC name of N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline (CID 106532649) is N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline.
What is the SMILES notation for N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline?
The canonical SMILES for N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline is Cc1ccc(N(C)c2cc(F)cc(CCN)c2)c(C)c1.
What is the InChIKey of N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline?
The InChIKey is GRWFEKVEQKYHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-12-4-5-17(13(2)8-12)20(3)16-10-14(6-7-19)9-15(18)11-16/h4-5,8-11H,6-7,19H2,1-3H3.
What are the key properties of N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline?
N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline has a molecular weight of 272.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethyl)-5-fluorophenyl]-N,2,4-trimethylaniline is sourced from PubChem (CID 106532649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).