2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline

C15H15ClFNO — CID 60873888

IUPAC2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline
SMILESCCOc1cccc(CNc2ccc(F)cc2Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-2-19-13-5-3-4-11(8-13)10-18-15-7-6-12(17)9-14(15)16/h3-9,18H,2,10H2,1H3
InChIKeyLCZPWGDASGALIK-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.49
Rot. Bonds5

About 2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline

2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline (PubChem CID 60873888) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline
PubChem CID60873888
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline
SMILESCCOc1cccc(CNc2ccc(F)cc2Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-2-19-13-5-3-4-11(8-13)10-18-15-7-6-12(17)9-14(15)16/h3-9,18H,2,10H2,1H3
InChIKeyLCZPWGDASGALIK-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline
CID 28878919
2-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-4-fluoroaniline
CID 43773972
5-chloro-N-[(3-ethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 79727218
N-[(3-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 39357473
N-[(3-ethoxyphenyl)methyl]-2-methylsulfanylaniline
CID 60871982
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxyphenyl)methanamine
CID 60615873
4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
CID 79768483
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126125748
N-[(3-ethoxyphenyl)methyl]-2-fluoro-4-nitroaniline
CID 60872206
2-chloro-4-fluoro-N-[(3-nitrophenyl)methyl]aniline
CID 28878908
5-chloro-2-ethoxy-N-[(3-fluorophenyl)methyl]aniline
CID 54865430

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline?
The IUPAC name of 2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline (CID 60873888) is 2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline is CCOc1cccc(CNc2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline?
The InChIKey is LCZPWGDASGALIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-2-19-13-5-3-4-11(8-13)10-18-15-7-6-12(17)9-14(15)16/h3-9,18H,2,10H2,1H3.
What are the key properties of 2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline?
2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline has a molecular weight of 279.74 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-ethoxyphenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 60873888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).