N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline

C15H15ClFNO — CID 104815682

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
SMILESCOc1cccc(Cl)c1CNc1ccc(F)cc1C
InChIInChI=1S/C15H15ClFNO/c1-10-8-11(17)6-7-14(10)18-9-12-13(16)4-3-5-15(12)19-2/h3-8,18H,9H2,1-2H3
InChIKeyGZSUGIHYMRMHQC-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.41
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline

N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline (PubChem CID 104815682) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
PubChem CID104815682
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
SMILESCOc1cccc(Cl)c1CNc1ccc(F)cc1C
InChIInChI=1S/C15H15ClFNO/c1-10-8-11(17)6-7-14(10)18-9-12-13(16)4-3-5-15(12)19-2/h3-8,18H,9H2,1-2H3
InChIKeyGZSUGIHYMRMHQC-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 29043434
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-nitroaniline
CID 104815786
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
CID 104815657
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
CID 104816030
3-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 103291779
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609933
1-N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103291747
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-iodoaniline
CID 107632429
N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113434216
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
2-[(2-chloro-6-methoxyphenyl)methylamino]-5-methylbenzonitrile
CID 107927942

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline (CID 104815682) is N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline is COc1cccc(Cl)c1CNc1ccc(F)cc1C.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline?
The InChIKey is GZSUGIHYMRMHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-8-11(17)6-7-14(10)18-9-12-13(16)4-3-5-15(12)19-2/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline?
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline has a molecular weight of 279.74 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline is sourced from PubChem (CID 104815682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).