4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline

C17H29FN2 — CID 63551322

IUPAC4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C17H29FN2/c1-6-10-20(11-7-2)16-9-8-14(12-15(16)18)13-19-17(3,4)5/h8-9,12,19H,6-7,10-11,13H2,1-5H3
InChIKeyWCRYGLFMTPACER-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.34
Rot. Bonds7

About 4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline

4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline (PubChem CID 63551322) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline
PubChem CID63551322
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline
SMILESCCCN(CCC)c1ccc(CNC(C)(C)C)cc1F
InChIInChI=1S/C17H29FN2/c1-6-10-20(11-7-2)16-9-8-14(12-15(16)18)13-19-17(3,4)5/h8-9,12,19H,6-7,10-11,13H2,1-5H3
InChIKeyWCRYGLFMTPACER-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-[(tert-butylamino)methyl]-N-ethyl-2-fluoroaniline
CID 63550946
N-butyl-4-[(tert-butylamino)methyl]-2-fluoro-N-methylaniline
CID 63061057
4-[(tert-butylamino)methyl]-N-ethyl-2-fluoro-N-(2-methylbutyl)aniline
CID 79481530
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700770
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699739
4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63058994
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline
CID 62120667
3-[[4-(diethylamino)-3-fluorophenyl]methylamino]-3-methylbutan-1-ol
CID 111469072
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propylanilino]ethanol
CID 61424894
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline
CID 63550613
4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
CID 55147217

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline (CID 63551322) is 4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline is CCCN(CCC)c1ccc(CNC(C)(C)C)cc1F.
What is the InChIKey of 4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline?
The InChIKey is WCRYGLFMTPACER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-6-10-20(11-7-2)16-9-8-14(12-15(16)18)13-19-17(3,4)5/h8-9,12,19H,6-7,10-11,13H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline?
4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline has a molecular weight of 280.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline is sourced from PubChem (CID 63551322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).