2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline

C15H25FN2 — CID 114068173

IUPAC2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)CN(C)c1c(F)cccc1CNC(C)C
InChIInChI=1S/C15H25FN2/c1-11(2)10-18(5)15-13(9-17-12(3)4)7-6-8-14(15)16/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyQRUIOFQUSBVMFI-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.42
Rot. Bonds6

About 2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline

2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline (PubChem CID 114068173) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline
PubChem CID114068173
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline
SMILESCC(C)CN(C)c1c(F)cccc1CNC(C)C
InChIInChI=1S/C15H25FN2/c1-11(2)10-18(5)15-13(9-17-12(3)4)7-6-8-14(15)16/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyQRUIOFQUSBVMFI-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol
CID 114068232
2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 114070080
3-fluoro-N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62461622
N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 70699698
2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]propanenitrile
CID 112610702
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955059
4-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylbutanamide
CID 115955089
N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
CID 106646431
2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
CID 107105504
2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol
CID 112606368
N-[(2-fluorophenyl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62294083

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline?
The IUPAC name of 2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline (CID 114068173) is 2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline?
The canonical SMILES for 2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline is CC(C)CN(C)c1c(F)cccc1CNC(C)C.
What is the InChIKey of 2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline?
The InChIKey is QRUIOFQUSBVMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-11(2)10-18(5)15-13(9-17-12(3)4)7-6-8-14(15)16/h6-8,11-12,17H,9-10H2,1-5H3.
What are the key properties of 2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline?
2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline has a molecular weight of 252.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline is sourced from PubChem (CID 114068173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).