N-[(3-fluorophenyl)methyl]-4-methylaniline

C14H14FN — CID 23255338

IUPACN-[(3-fluorophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C14H14FN/c1-11-5-7-14(8-6-11)16-10-12-3-2-4-13(15)9-12/h2-9,16H,10H2,1H3
InChIKeyNRRGYCBJARDSJP-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.75
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-4-methylaniline

N-[(3-fluorophenyl)methyl]-4-methylaniline (PubChem CID 23255338) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-methylaniline
PubChem CID23255338
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC NameN-[(3-fluorophenyl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C14H14FN/c1-11-5-7-14(8-6-11)16-10-12-3-2-4-13(15)9-12/h2-9,16H,10H2,1H3
InChIKeyNRRGYCBJARDSJP-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
trifluoro-[3-[(4-methylanilino)methyl]phenyl]boranuide
CID 86767277
2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
CID 28879450
1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744329
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
[4-[(3-fluorophenyl)methylamino]phenyl]urea
CID 43744874
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
N-[(3-fluorophenyl)methyl]-3-iodoaniline
CID 28879212
2-[N-ethyl-4-[(3-fluorophenyl)methylamino]anilino]ethanol
CID 60685363
N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960926
N-benzyl-4-methylaniline;methane;phenylmethanamine;1,4-xylene
CID 157155590
1-[(3-fluorophenyl)methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244599

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-methylaniline?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-methylaniline (CID 23255338) is N-[(3-fluorophenyl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-methylaniline?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-methylaniline is Cc1ccc(NCc2cccc(F)c2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-methylaniline?
The InChIKey is NRRGYCBJARDSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-11-5-7-14(8-6-11)16-10-12-3-2-4-13(15)9-12/h2-9,16H,10H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-4-methylaniline?
N-[(3-fluorophenyl)methyl]-4-methylaniline has a molecular weight of 215.27 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-methylaniline is sourced from PubChem (CID 23255338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).