N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline

C15H15ClFN — CID 123969663

IUPACN-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline
SMILESCCc1ccc(CNc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H15ClFN/c1-2-11-3-4-12(15(16)9-11)10-18-14-7-5-13(17)6-8-14/h3-9,18H,2,10H2,1H3
InChIKeyXYVPTGSEVREKJP-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.65
Rot. Bonds4

About N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline

N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline (PubChem CID 123969663) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline
PubChem CID123969663
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC NameN-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline
SMILESCCc1ccc(CNc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H15ClFN/c1-2-11-3-4-12(15(16)9-11)10-18-14-7-5-13(17)6-8-14/h3-9,18H,2,10H2,1H3
InChIKeyXYVPTGSEVREKJP-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
N-[(2-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxyaniline
CID 28969852
3-chloro-4-[(4-ethylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667041
3,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoroaniline
CID 107573826
N-[(2-chloro-4-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054679
4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 103605319
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
2-[(4-ethylanilino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77029143
N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline
CID 113470945
2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 3999969
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline
CID 107364885

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline?
The IUPAC name of N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline (CID 123969663) is N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline?
The canonical SMILES for N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline is CCc1ccc(CNc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline?
The InChIKey is XYVPTGSEVREKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-2-11-3-4-12(15(16)9-11)10-18-14-7-5-13(17)6-8-14/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline?
N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline has a molecular weight of 263.74 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 123969663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).