3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline

C14H23FN2 — CID 112646222

IUPAC3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline
SMILESCCC(C)CN(CC)Cc1cc(N)cc(F)c1
InChIInChI=1S/C14H23FN2/c1-4-11(3)9-17(5-2)10-12-6-13(15)8-14(16)7-12/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyMWZKOGXBNSXZNA-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.28
Rot. Bonds6

About 3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline

3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline (PubChem CID 112646222) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline
PubChem CID112646222
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline
SMILESCCC(C)CN(CC)Cc1cc(N)cc(F)c1
InChIInChI=1S/C14H23FN2/c1-4-11(3)9-17(5-2)10-12-6-13(15)8-14(16)7-12/h6-8,11H,4-5,9-10,16H2,1-3H3
InChIKeyMWZKOGXBNSXZNA-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.28
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

3-[[butyl(ethyl)amino]methyl]-5-fluoroaniline
CID 112645909
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646008
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646022
3-[[cyclopropyl(ethyl)amino]methyl]-5-fluoroaniline
CID 112645923
3-[[butyl(methyl)amino]methyl]-5-fluoroaniline
CID 112645907
3-fluoro-5-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]aniline
CID 112646083
3-fluoro-5-(3-methylbutylsulfanylmethyl)aniline
CID 107749039
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82983289
3-[(4-ethylpiperazin-1-yl)methyl]-5-fluoroaniline
CID 112645892
4-[3-[ethyl(2-methylbutyl)amino]propyl]aniline
CID 115342218
methyl 4-[[ethyl(2-methylbutyl)amino]methyl]-2-fluorobenzoate
CID 103749530

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline?
The IUPAC name of 3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline (CID 112646222) is 3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline.
What is the SMILES notation for 3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline?
The canonical SMILES for 3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline is CCC(C)CN(CC)Cc1cc(N)cc(F)c1.
What is the InChIKey of 3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline?
The InChIKey is MWZKOGXBNSXZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-11(3)9-17(5-2)10-12-6-13(15)8-14(16)7-12/h6-8,11H,4-5,9-10,16H2,1-3H3.
What are the key properties of 3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline?
3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline has a molecular weight of 238.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline is sourced from PubChem (CID 112646222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).