4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline

C12H19FN2 — CID 63188681

IUPAC4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline
SMILESCCN(Cc1ccc(N)c(F)c1)C(C)C
InChIInChI=1S/C12H19FN2/c1-4-15(9(2)3)8-10-5-6-12(14)11(13)7-10/h5-7,9H,4,8,14H2,1-3H3
InChIKeyQUCXKBQCRZXIRP-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.64
Rot. Bonds4

About 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline

4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline (PubChem CID 63188681) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline
PubChem CID63188681
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline
SMILESCCN(Cc1ccc(N)c(F)c1)C(C)C
InChIInChI=1S/C12H19FN2/c1-4-15(9(2)3)8-10-5-6-12(14)11(13)7-10/h5-7,9H,4,8,14H2,1-3H3
InChIKeyQUCXKBQCRZXIRP-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.64
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

4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol
CID 107693937
2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline
CID 82948357
2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline
CID 43265322
4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline
CID 63189385
2-fluoro-4-[[(2-fluorophenyl)methyl-methylamino]methyl]aniline
CID 63188598
4-[[bis(2-ethoxyethyl)amino]methyl]-2-fluoroaniline
CID 82965656
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol
CID 107694130
2-fluoro-4-pentylaniline
CID 146198864
3-[(3,4-difluorophenyl)methyl-ethylamino]butanoic acid
CID 65060898
2-[(3,4-difluorophenyl)methyl-propan-2-ylamino]acetonitrile
CID 78983119
5-[[butan-2-yl(ethyl)amino]methyl]-2-chloroaniline
CID 43274087
N-[(3-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 55191844

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline?
The IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline (CID 63188681) is 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline.
What is the SMILES notation for 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline?
The canonical SMILES for 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline is CCN(Cc1ccc(N)c(F)c1)C(C)C.
What is the InChIKey of 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline?
The InChIKey is QUCXKBQCRZXIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-4-15(9(2)3)8-10-5-6-12(14)11(13)7-10/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline?
4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline has a molecular weight of 210.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline is sourced from PubChem (CID 63188681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).