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

C16H18FNO — CID 103818113

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCc1cc(C)ccc1F
InChIInChI=1S/C16H18FNO/c1-11-4-6-14(17)13(8-11)10-18-15-9-12(2)5-7-16(15)19-3/h4-9,18H,10H2,1-3H3
InChIKeyQNDSWBNTAYUILR-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.06
Rot. Bonds4

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

N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline (PubChem CID 103818113) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
PubChem CID103818113
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCc1cc(C)ccc1F
InChIInChI=1S/C16H18FNO/c1-11-4-6-14(17)13(8-11)10-18-15-9-12(2)5-7-16(15)19-3/h4-9,18H,10H2,1-3H3
InChIKeyQNDSWBNTAYUILR-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818943
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538
N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline
CID 43443545
N-(2-fluoroethyl)-2-methoxy-5-methylaniline
CID 80699786
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 79604739
4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549
2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39386889

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline (CID 103818113) is N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline is COc1ccc(C)cc1NCc1cc(C)ccc1F.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline?
The InChIKey is QNDSWBNTAYUILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-4-6-14(17)13(8-11)10-18-15-9-12(2)5-7-16(15)19-3/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline?
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline has a molecular weight of 259.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 103818113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).