N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline

C16H18FN — CID 63422204

IUPACN-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
SMILESCCc1ccccc1CNc1ccc(C)cc1F
InChIInChI=1S/C16H18FN/c1-3-13-6-4-5-7-14(13)11-18-16-9-8-12(2)10-15(16)17/h4-10,18H,3,11H2,1-2H3
InChIKeyJPXVSRBVJBYJLP-UHFFFAOYSA-N
MW243.32 g/mol
LogP4.31
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline

N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline (PubChem CID 63422204) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
PubChem CID63422204
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC NameN-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
SMILESCCc1ccccc1CNc1ccc(C)cc1F
InChIInChI=1S/C16H18FN/c1-3-13-6-4-5-7-14(13)11-18-16-9-8-12(2)10-15(16)17/h4-10,18H,3,11H2,1-2H3
InChIKeyJPXVSRBVJBYJLP-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
2-[(2-fluoro-4-methylanilino)methyl]benzonitrile
CID 28879330
1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 64682149
4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
CID 64693654
2-fluoro-4-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772308
2-fluoro-4-methyl-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79031818
2-[2-[(2-fluoro-4-methylanilino)methyl]phenoxy]acetonitrile
CID 43772247
5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline
CID 63423742
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-fluoro-4-methylaniline
CID 43583784
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline?
The IUPAC name of N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline (CID 63422204) is N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline is CCc1ccccc1CNc1ccc(C)cc1F.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline?
The InChIKey is JPXVSRBVJBYJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-3-13-6-4-5-7-14(13)11-18-16-9-8-12(2)10-15(16)17/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline?
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline has a molecular weight of 243.32 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline is sourced from PubChem (CID 63422204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).