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

C14H14F2N2 — CID 82296258

IUPAC2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline
SMILESNCCc1cc(F)ccc1Nc1ccccc1F
InChIInChI=1S/C14H14F2N2/c15-11-5-6-13(10(9-11)7-8-17)18-14-4-2-1-3-12(14)16/h1-6,9,18H,7-8,17H2
InChIKeyJKBPOBZMWIUZJV-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.21
Rot. Bonds4

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

2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline (PubChem CID 82296258) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline
PubChem CID82296258
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline
SMILESNCCc1cc(F)ccc1Nc1ccccc1F
InChIInChI=1S/C14H14F2N2/c15-11-5-6-13(10(9-11)7-8-17)18-14-4-2-1-3-12(14)16/h1-6,9,18H,7-8,17H2
InChIKeyJKBPOBZMWIUZJV-UHFFFAOYSA-N
XLogP3.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-4-fluoro-N-(2-methylphenyl)aniline
CID 82294339
N-[2-(2-aminoethyl)-4-fluorophenyl]-2,4,6-trimethylaniline
CID 95475072
N-[2-(2-aminoethyl)-4-fluorophenyl]-3,4-dimethylaniline
CID 82300622
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
CID 152736255
2-(2-aminoethyl)-N-butyl-4-fluoroaniline
CID 95441121
2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 95441473
5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
2,4-difluoro-N-(2-methoxyphenyl)aniline
CID 82537085
2-(2-benzyl-5-fluorophenyl)ethanamine
CID 20642641
methyl 2-[2-(2-aminoethyl)-4-fluoroanilino]-5-(trifluoromethyl)benzoate;hydrochloride
CID 170438032
4-(2-aminoethyl)-2-fluoro-N-phenylaniline
CID 82288843
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline (CID 82296258) is 2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline is NCCc1cc(F)ccc1Nc1ccccc1F.
What is the InChIKey of 2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline?
The InChIKey is JKBPOBZMWIUZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c15-11-5-6-13(10(9-11)7-8-17)18-14-4-2-1-3-12(14)16/h1-6,9,18H,7-8,17H2.
What are the key properties of 2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline?
2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline has a molecular weight of 248.28 g/mol, XLogP of 3.21, 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-fluorophenyl)aniline is sourced from PubChem (CID 82296258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).