2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline

C16H19FN2O — CID 95476937

IUPAC2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline
SMILESCOc1ccc(C)cc1Nc1cccc(F)c1CCN
InChIInChI=1S/C16H19FN2O/c1-11-6-7-16(20-2)15(10-11)19-14-5-3-4-13(17)12(14)8-9-18/h3-7,10,19H,8-9,18H2,1-2H3
InChIKeyVAVVMALVESFWDU-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.39
Rot. Bonds5

About 2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline

2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline (PubChem CID 95476937) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline
PubChem CID95476937
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline
SMILESCOc1ccc(C)cc1Nc1cccc(F)c1CCN
InChIInChI=1S/C16H19FN2O/c1-11-6-7-16(20-2)15(10-11)19-14-5-3-4-13(17)12(14)8-9-18/h3-7,10,19H,8-9,18H2,1-2H3
InChIKeyVAVVMALVESFWDU-UHFFFAOYSA-N
XLogP3.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline
CID 101202824
N-[4-(aminomethyl)phenyl]-2-methoxy-5-methylaniline
CID 117027386
2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine
CID 54902891
2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline
CID 95483003
4-chloro-5-fluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,2-diamine
CID 66078169
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
2-chloro-6-(2-methoxy-5-methylanilino)benzenecarbothioamide
CID 62501918
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220
N-(2-fluoroethyl)-2-methoxy-5-methylaniline
CID 80699786
1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene
CID 114065514
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline (CID 95476937) is 2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline is COc1ccc(C)cc1Nc1cccc(F)c1CCN.
What is the InChIKey of 2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline?
The InChIKey is VAVVMALVESFWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11-6-7-16(20-2)15(10-11)19-14-5-3-4-13(17)12(14)8-9-18/h3-7,10,19H,8-9,18H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline?
2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline has a molecular weight of 274.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-3-fluoro-N-(2-methoxy-5-methylphenyl)aniline is sourced from PubChem (CID 95476937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).