N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline

C15H15ClFNO — CID 43410852

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
SMILESCOc1ccc(Cl)cc1CNc1cc(C)ccc1F
InChIInChI=1S/C15H15ClFNO/c1-10-3-5-13(17)14(7-10)18-9-11-8-12(16)4-6-15(11)19-2/h3-8,18H,9H2,1-2H3
InChIKeyYTJRJRGNXZZNJR-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.41
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline

N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline (PubChem CID 43410852) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
PubChem CID43410852
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
SMILESCOc1ccc(Cl)cc1CNc1cc(C)ccc1F
InChIInChI=1S/C15H15ClFNO/c1-10-3-5-13(17)14(7-10)18-9-11-8-12(16)4-6-15(11)19-2/h3-8,18H,9H2,1-2H3
InChIKeyYTJRJRGNXZZNJR-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-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 65022563
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 66160456
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 43410815
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
5-chloro-2-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]aniline
CID 43385720
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772787
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline (CID 43410852) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline is COc1ccc(Cl)cc1CNc1cc(C)ccc1F.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline?
The InChIKey is YTJRJRGNXZZNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-3-5-13(17)14(7-10)18-9-11-8-12(16)4-6-15(11)19-2/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-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-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline is sourced from PubChem (CID 43410852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).