N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline

C16H19FN2 — CID 62001809

IUPACN-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)Cc2cc(F)ccc2N)c(C)c1
InChIInChI=1S/C16H19FN2/c1-11-4-7-16(12(2)8-11)19(3)10-13-9-14(17)5-6-15(13)18/h4-9H,10,18H2,1-3H3
InChIKeyJITHPBAEYKFFJZ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.66
Rot. Bonds3

About N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline

N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline (PubChem CID 62001809) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline.

Molecular Properties

Compound NameN-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline
PubChem CID62001809
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)Cc2cc(F)ccc2N)c(C)c1
InChIInChI=1S/C16H19FN2/c1-11-4-7-16(12(2)8-11)19(3)10-13-9-14(17)5-6-15(13)18/h4-9H,10,18H2,1-3H3
InChIKeyJITHPBAEYKFFJZ-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
4-fluoro-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 28798518
2-[(N-ethyl-4-methylanilino)methyl]-4-fluoroaniline
CID 62002385
2-[(2-amino-5-fluorophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43443776
2-N,4-dimethyl-2-N-[(2,3,4-trimethylphenyl)methyl]benzene-1,2-diamine
CID 115126395
2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62002014
2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
CID 61076053
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
CID 61414831
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline
CID 63458833
1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125081
4-fluoro-2-[[methyl(2-methylpropyl)amino]methyl]aniline
CID 43443766

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline?
The IUPAC name of N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline (CID 62001809) is N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline.
What is the SMILES notation for N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline?
The canonical SMILES for N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline is Cc1ccc(N(C)Cc2cc(F)ccc2N)c(C)c1.
What is the InChIKey of N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline?
The InChIKey is JITHPBAEYKFFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-11-4-7-16(12(2)8-11)19(3)10-13-9-14(17)5-6-15(13)18/h4-9H,10,18H2,1-3H3.
What are the key properties of N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline?
N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline has a molecular weight of 258.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-fluorophenyl)methyl]-N,2,4-trimethylaniline is sourced from PubChem (CID 62001809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).