3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C14H21F4N3 — CID 105389253

IUPAC3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(CC(F)(F)F)C(C)C)c1F
InChIInChI=1S/C14H21F4N3/c1-4-6-19-8-11-5-7-20-13(12(11)15)21(10(2)3)9-14(16,17)18/h5,7,10,19H,4,6,8-9H2,1-3H3
InChIKeySGSCTHIKYFNZJT-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.50
Rot. Bonds7

About 3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 105389253) has the molecular formula C14H21F4N3 and a molecular weight of 307.34 g/mol. Its IUPAC name is 3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID105389253
Molecular FormulaC14H21F4N3
Molecular Weight307.34 g/mol
Exact Mass307.17
IUPAC Name3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(CC(F)(F)F)C(C)C)c1F
InChIInChI=1S/C14H21F4N3/c1-4-6-19-8-11-5-7-20-13(12(11)15)21(10(2)3)9-14(16,17)18/h5,7,10,19H,4,6,8-9H2,1-3H3
InChIKeySGSCTHIKYFNZJT-UHFFFAOYSA-N
XLogP3.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105389291
4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine
CID 105384781
3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 105389308
3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105390476
N-[[3-fluoro-2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]propan-1-amine
CID 105390919
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-propan-2-ylpyridin-2-amine
CID 105389642
N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389714
N-[[2-(2-ethoxyethoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390809
N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105391480
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
2-[[3-fluoro-4-(propylaminomethyl)-2-pyridinyl]-prop-2-enylamino]ethanol
CID 105390415
3-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389063

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 105389253) is 3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CCCNCc1ccnc(N(CC(F)(F)F)C(C)C)c1F.
What is the InChIKey of 3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is SGSCTHIKYFNZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F4N3/c1-4-6-19-8-11-5-7-20-13(12(11)15)21(10(2)3)9-14(16,17)18/h5,7,10,19H,4,6,8-9H2,1-3H3.
What are the key properties of 3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 307.34 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 105389253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).