4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline

C15H25FN2 — CID 43313970

IUPAC4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1cc(F)ccc1N(C)CC(C)C
InChIInChI=1S/C15H25FN2/c1-5-8-17-10-13-9-14(16)6-7-15(13)18(4)11-12(2)3/h6-7,9,12,17H,5,8,10-11H2,1-4H3
InChIKeyVDFGJKOPHYNKKS-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.42
Rot. Bonds7

About 4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline

4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline (PubChem CID 43313970) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
PubChem CID43313970
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1cc(F)ccc1N(C)CC(C)C
InChIInChI=1S/C15H25FN2/c1-5-8-17-10-13-9-14(16)6-7-15(13)18(4)11-12(2)3/h6-7,9,12,17H,5,8,10-11H2,1-4H3
InChIKeyVDFGJKOPHYNKKS-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 63059657
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 55147418
3-[[5-fluoro-2-[methyl(2-methylbutyl)amino]phenyl]methylamino]propanoic acid
CID 120913149
4-fluoro-N-(furan-3-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 61422704
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-2-(propylaminomethyl)aniline
CID 63552121
4-chloro-N-(2,2-difluoroethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114853665
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214
4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(propylaminomethyl)aniline
CID 63837145
4-fluoro-N-methyl-N-(oxan-3-ylmethyl)-2-(propylaminomethyl)aniline
CID 63711217
2-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]propan-1-ol
CID 113426132
2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol
CID 54994918
N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline
CID 43313789

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline?
The IUPAC name of 4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline (CID 43313970) is 4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline is CCCNCc1cc(F)ccc1N(C)CC(C)C.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline?
The InChIKey is VDFGJKOPHYNKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-8-17-10-13-9-14(16)6-7-15(13)18(4)11-12(2)3/h6-7,9,12,17H,5,8,10-11H2,1-4H3.
What are the key properties of 4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline?
4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline has a molecular weight of 252.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline is sourced from PubChem (CID 43313970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).