N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline

C15H15ClFNO2 — CID 102615378

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NCc2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H15ClFNO2/c1-19-12-4-6-15(20-2)14(8-12)18-9-10-7-11(17)3-5-13(10)16/h3-8,18H,9H2,1-2H3
InChIKeyJVRBNCRAMKOWPR-UHFFFAOYSA-N
MW295.74 g/mol
LogP4.11
Rot. Bonds5

About N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline

N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline (PubChem CID 102615378) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline
PubChem CID102615378
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NCc2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H15ClFNO2/c1-19-12-4-6-15(20-2)14(8-12)18-9-10-7-11(17)3-5-13(10)16/h3-8,18H,9H2,1-2H3
InChIKeyJVRBNCRAMKOWPR-UHFFFAOYSA-N
XLogP4.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748
2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
CID 65315824
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
1-(2-chloro-4-fluorophenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 53489315
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-methoxyaniline
CID 65316388
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 43410815
N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline
CID 23767629
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034
4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419053
2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-4,5-dimethoxyaniline
CID 103944246

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline (CID 102615378) is N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline is COc1ccc(OC)c(NCc2cc(F)ccc2Cl)c1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline?
The InChIKey is JVRBNCRAMKOWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-12-4-6-15(20-2)14(8-12)18-9-10-7-11(17)3-5-13(10)16/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline?
N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline has a molecular weight of 295.74 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 102615378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).