3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline

C16H25FN2 — CID 106532266

IUPAC3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)N(C)c1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C16H25FN2/c1-11(2)12(3)19(4)16-8-13(7-14(17)9-16)10-18-15-5-6-15/h7-9,11-12,15,18H,5-6,10H2,1-4H3
InChIKeyFZQCEOZGQHWNQW-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.56
Rot. Bonds6

About 3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline

3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 106532266) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
PubChem CID106532266
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)N(C)c1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C16H25FN2/c1-11(2)12(3)19(4)16-8-13(7-14(17)9-16)10-18-15-5-6-15/h7-9,11-12,15,18H,5-6,10H2,1-4H3
InChIKeyFZQCEOZGQHWNQW-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline (CID 106532266) is 3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline is CC(C)C(C)N(C)c1cc(F)cc(CNC2CC2)c1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is FZQCEOZGQHWNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11(2)12(3)19(4)16-8-13(7-14(17)9-16)10-18-15-5-6-15/h7-9,11-12,15,18H,5-6,10H2,1-4H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline?
3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 264.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 106532266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).