4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline

C16H17ClFNO — CID 63419053

IUPAC4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NCc1ccc(F)cc1C
InChIInChI=1S/C16H17ClFNO/c1-10-6-13(18)5-4-12(10)9-19-15-7-11(2)14(17)8-16(15)20-3/h4-8,19H,9H2,1-3H3
InChIKeyNGEKYHUWVKMCEV-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.72
Rot. Bonds4

About 4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline

4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline (PubChem CID 63419053) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline
PubChem CID63419053
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NCc1ccc(F)cc1C
InChIInChI=1S/C16H17ClFNO/c1-10-6-13(18)5-4-12(10)9-19-15-7-11(2)14(17)8-16(15)20-3/h4-8,19H,9H2,1-3H3
InChIKeyNGEKYHUWVKMCEV-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549
2-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-fluorobenzonitrile
CID 103760975
4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 105402906
2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-4,5-dimethoxyaniline
CID 103944246
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419097
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748
N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline
CID 106816718
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
CID 104792082
4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
CID 114480113
2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline
CID 107527051
N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline
CID 102615378

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline?
The IUPAC name of 4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline (CID 63419053) is 4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for 4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline?
The canonical SMILES for 4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline is COc1cc(Cl)c(C)cc1NCc1ccc(F)cc1C.
What is the InChIKey of 4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline?
The InChIKey is NGEKYHUWVKMCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-6-13(18)5-4-12(10)9-19-15-7-11(2)14(17)8-16(15)20-3/h4-8,19H,9H2,1-3H3.
What are the key properties of 4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline?
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline has a molecular weight of 293.77 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 63419053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).