2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline

C15H17FN2 — CID 82294339

IUPAC2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline
SMILESCc1ccccc1Nc1ccc(F)cc1CCN
InChIInChI=1S/C15H17FN2/c1-11-4-2-3-5-14(11)18-15-7-6-13(16)10-12(15)8-9-17/h2-7,10,18H,8-9,17H2,1H3
InChIKeyAAOSINWYIBHACG-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.38
Rot. Bonds4

About 2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline

2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline (PubChem CID 82294339) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline
PubChem CID82294339
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline
SMILESCc1ccccc1Nc1ccc(F)cc1CCN
InChIInChI=1S/C15H17FN2/c1-11-4-2-3-5-14(11)18-15-7-6-13(16)10-12(15)8-9-17/h2-7,10,18H,8-9,17H2,1H3
InChIKeyAAOSINWYIBHACG-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline
CID 82296258
N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline
CID 95475072
N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline
CID 82300622
2-(2-aminoethyl)-N-butyl-4-fluoroaniline
CID 95441121
2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 95441473
1-N-(4-fluoro-2-methylphenyl)-2-methylbenzene-1,4-diamine
CID 43165593
2-(2-benzyl-5-fluorophenyl)ethanamine
CID 20642641
2,4,5-trimethyl-N-(2-methylphenyl)aniline
CID 142357624
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
methyl 2-[2-(2-aminoethyl)-4-fluoroanilino]-5-(trifluoromethyl)benzoate;hydrochloride
CID 170438032
2-[3-fluoro-4-(2-methylanilino)phenyl]acetic acid
CID 82300980
2-[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986586

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline (CID 82294339) is 2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline is Cc1ccccc1Nc1ccc(F)cc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline?
The InChIKey is AAOSINWYIBHACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-11-4-2-3-5-14(11)18-15-7-6-13(16)10-12(15)8-9-17/h2-7,10,18H,8-9,17H2,1H3.
What are the key properties of 2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline?
2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline has a molecular weight of 244.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline is sourced from PubChem (CID 82294339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).