2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline

C15H16FN — CID 58021964

IUPAC2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(CCc2ccc(F)c(N)c2)cc1
InChIInChI=1S/C15H16FN/c1-11-2-4-12(5-3-11)6-7-13-8-9-14(16)15(17)10-13/h2-5,8-10H,6-7,17H2,1H3
InChIKeyYKGSOMQKHXNAHI-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.50
Rot. Bonds3

About 2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline

2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline (PubChem CID 58021964) has the molecular formula C15H16FN and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline
PubChem CID58021964
Molecular FormulaC15H16FN
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(CCc2ccc(F)c(N)c2)cc1
InChIInChI=1S/C15H16FN/c1-11-2-4-12(5-3-11)6-7-13-8-9-14(16)15(17)10-13/h2-5,8-10H,6-7,17H2,1H3
InChIKeyYKGSOMQKHXNAHI-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline
CID 82479383
5-ethyl-2-fluoroaniline
CID 10630567
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 59545613
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline
CID 142384590
2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline
CID 84677881
5-(4-ethylphenyl)-2-fluoroaniline
CID 82078593
4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
CID 68660073
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
2-fluoro-5-(hydroxysulfanylmethyl)aniline
CID 118350509
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline?
The IUPAC name of 2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline (CID 58021964) is 2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline?
The canonical SMILES for 2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline is Cc1ccc(CCc2ccc(F)c(N)c2)cc1.
What is the InChIKey of 2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline?
The InChIKey is YKGSOMQKHXNAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN/c1-11-2-4-12(5-3-11)6-7-13-8-9-14(16)15(17)10-13/h2-5,8-10H,6-7,17H2,1H3.
What are the key properties of 2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline?
2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline has a molecular weight of 229.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 58021964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).