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

C16H19FN2 — CID 82300622

IUPACN-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline
SMILESCc1ccc(Nc2ccc(F)cc2CCN)cc1C
InChIInChI=1S/C16H19FN2/c1-11-3-5-15(9-12(11)2)19-16-6-4-14(17)10-13(16)7-8-18/h3-6,9-10,19H,7-8,18H2,1-2H3
InChIKeyWXCYRSDDHPOZHQ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.69
Rot. Bonds4

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

N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline (PubChem CID 82300622) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline
PubChem CID82300622
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline
SMILESCc1ccc(Nc2ccc(F)cc2CCN)cc1C
InChIInChI=1S/C16H19FN2/c1-11-3-5-15(9-12(11)2)19-16-6-4-14(17)10-13(16)7-8-18/h3-6,9-10,19H,7-8,18H2,1-2H3
InChIKeyWXCYRSDDHPOZHQ-UHFFFAOYSA-N
XLogP3.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline
CID 95475072
2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline
CID 82294339
2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline
CID 82296258
2-(2-aminoethyl)-N-butyl-4-fluoroaniline
CID 95441121
N-(4-fluorophenyl)-3,4-dimethylaniline
CID 11020276
2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 95441473
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
2-[2-(2,4-difluorophenyl)ethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111801585
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
1-N-(3-chloro-4-methylphenyl)-4-fluorobenzene-1,2-diamine
CID 29066317
4-N-(2-bromo-5-fluorophenyl)-2-methylbenzene-1,4-diamine
CID 107634431
N-[3-[2-(aminomethyl)-4-fluoroanilino]phenyl]acetamide
CID 95475534

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline?
The IUPAC name of N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline (CID 82300622) is N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline?
The canonical SMILES for N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline is Cc1ccc(Nc2ccc(F)cc2CCN)cc1C.
What is the InChIKey of N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline?
The InChIKey is WXCYRSDDHPOZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11-3-5-15(9-12(11)2)19-16-6-4-14(17)10-13(16)7-8-18/h3-6,9-10,19H,7-8,18H2,1-2H3.
What are the key properties of N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline?
N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline has a molecular weight of 258.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline is sourced from PubChem (CID 82300622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).