2-[(3-fluorophenyl)methyl]-5-methylaniline

C14H14FN — CID 105468725

IUPAC2-[(3-fluorophenyl)methyl]-5-methylaniline
SMILESCc1ccc(Cc2cccc(F)c2)c(N)c1
InChIInChI=1S/C14H14FN/c1-10-5-6-12(14(16)7-10)8-11-3-2-4-13(15)9-11/h2-7,9H,8,16H2,1H3
InChIKeyKTSBKKOGBFVQRU-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.31
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-5-methylaniline

2-[(3-fluorophenyl)methyl]-5-methylaniline (PubChem CID 105468725) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5-methylaniline
PubChem CID105468725
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name2-[(3-fluorophenyl)methyl]-5-methylaniline
SMILESCc1ccc(Cc2cccc(F)c2)c(N)c1
InChIInChI=1S/C14H14FN/c1-10-5-6-12(14(16)7-10)8-11-3-2-4-13(15)9-11/h2-7,9H,8,16H2,1H3
InChIKeyKTSBKKOGBFVQRU-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.31
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

2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline
CID 155580430
2-[(3-fluorophenyl)methyl]aniline
CID 105453525
5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline
CID 157020701
N-(2-amino-4-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43259058
1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 106867013
1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 61481696
4-fluoro-2-[(3-methylphenyl)methyl]phenol
CID 59108977
5-amino-2-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 142402108
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene
CID 91017435
ethane;1-fluoro-3-methylbenzene
CID 123790085
2-(chloromethyl)-5-methylaniline
CID 91883475

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-5-methylaniline?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5-methylaniline (CID 105468725) is 2-[(3-fluorophenyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5-methylaniline?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5-methylaniline is Cc1ccc(Cc2cccc(F)c2)c(N)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5-methylaniline?
The InChIKey is KTSBKKOGBFVQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-10-5-6-12(14(16)7-10)8-11-3-2-4-13(15)9-11/h2-7,9H,8,16H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-5-methylaniline?
2-[(3-fluorophenyl)methyl]-5-methylaniline has a molecular weight of 215.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-5-methylaniline is sourced from PubChem (CID 105468725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).