2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline

C15H16FNO — CID 28879448

IUPAC2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
SMILESCOc1cccc(CNc2cc(C)ccc2F)c1
InChIInChI=1S/C15H16FNO/c1-11-6-7-14(16)15(8-11)17-10-12-4-3-5-13(9-12)18-2/h3-9,17H,10H2,1-2H3
InChIKeyFKRKMPYJWAGCMP-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.75
Rot. Bonds4

About 2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline

2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline (PubChem CID 28879448) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
PubChem CID28879448
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
SMILESCOc1cccc(CNc2cc(C)ccc2F)c1
InChIInChI=1S/C15H16FNO/c1-11-6-7-14(16)15(8-11)17-10-12-4-3-5-13(9-12)18-2/h3-9,17H,10H2,1-2H3
InChIKeyFKRKMPYJWAGCMP-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
CID 28879450
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
3-fluoro-1-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 54911085
2-[(3-methoxyphenyl)methylamino]-5-methylbenzenecarbothioamide
CID 107928607
N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 65022563
N-[(3-methoxyphenyl)methyl]-4-methyl-2-nitroaniline
CID 43718638
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43772765
2-chloro-4-fluoro-N-[(3-methoxyphenyl)methyl]aniline
CID 28878919
4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
CID 79768483
4-fluoro-5-iodo-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 66099500

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline?
The IUPAC name of 2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline (CID 28879448) is 2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline?
The canonical SMILES for 2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline is COc1cccc(CNc2cc(C)ccc2F)c1.
What is the InChIKey of 2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline?
The InChIKey is FKRKMPYJWAGCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-6-7-14(16)15(8-11)17-10-12-4-3-5-13(9-12)18-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline?
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline has a molecular weight of 245.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline is sourced from PubChem (CID 28879448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).