N-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline

C15H15ClFNO — CID 2200734

IUPACN-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline
SMILESCCOc1ccc(Cl)cc1CNc1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO/c1-2-19-15-8-3-12(16)9-11(15)10-18-14-6-4-13(17)5-7-14/h3-9,18H,2,10H2,1H3
InChIKeyLCQYJZVOGSSSKT-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.49
Rot. Bonds5

About N-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline

N-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline (PubChem CID 2200734) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is N-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline
PubChem CID2200734
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC NameN-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline
SMILESCCOc1ccc(Cl)cc1CNc1ccc(F)cc1
InChIInChI=1S/C15H15ClFNO/c1-2-19-15-8-3-12(16)9-11(15)10-18-14-6-4-13(17)5-7-14/h3-9,18H,2,10H2,1H3
InChIKeyLCQYJZVOGSSSKT-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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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline?
The IUPAC name of N-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline (CID 2200734) is N-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for N-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline?
The canonical SMILES for N-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline is CCOc1ccc(Cl)cc1CNc1ccc(F)cc1.
What is the InChIKey of N-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline?
The InChIKey is LCQYJZVOGSSSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-2-19-15-8-3-12(16)9-11(15)10-18-14-6-4-13(17)5-7-14/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline?
N-[(5-chloro-2-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 N-[(5-chloro-2-ethoxyphenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 2200734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).