4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C14H19F4N3 — CID 105389282

IUPAC4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCCN(CC(F)(F)F)c1nccc(CNC2CC2)c1F
InChIInChI=1S/C14H19F4N3/c1-2-7-21(9-14(16,17)18)13-12(15)10(5-6-19-13)8-20-11-3-4-11/h5-6,11,20H,2-4,7-9H2,1H3
InChIKeyLVVHEEHAEUTYLZ-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.25
Rot. Bonds7

About 4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine

4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 105389282) has the molecular formula C14H19F4N3 and a molecular weight of 305.32 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID105389282
Molecular FormulaC14H19F4N3
Molecular Weight305.32 g/mol
Exact Mass305.15
IUPAC Name4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCCN(CC(F)(F)F)c1nccc(CNC2CC2)c1F
InChIInChI=1S/C14H19F4N3/c1-2-7-21(9-14(16,17)18)13-12(15)10(5-6-19-13)8-20-11-3-4-11/h5-6,11,20H,2-4,7-9H2,1H3
InChIKeyLVVHEEHAEUTYLZ-UHFFFAOYSA-N
XLogP3.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105388956
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389047
4-[(tert-butylamino)methyl]-N-ethyl-3-fluoro-N-propylpyridin-2-amine
CID 105384745
5-bromo-2-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 63553253
N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105389566
4-[(cyclopropylamino)methyl]-3-fluoro-N-propylpyridin-2-amine
CID 105390346
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 105390479
4-[(cyclopropylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62129967
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 105389144
N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389989
N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine
CID 171815594
3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389253

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 105389282) is 4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CCCN(CC(F)(F)F)c1nccc(CNC2CC2)c1F.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is LVVHEEHAEUTYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N3/c1-2-7-21(9-14(16,17)18)13-12(15)10(5-6-19-13)8-20-11-3-4-11/h5-6,11,20H,2-4,7-9H2,1H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 305.32 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 105389282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).