3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine

C12H19FN2 — CID 104739416

IUPAC3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)c1ccncc1F
InChIInChI=1S/C12H19FN2/c1-9(2)15-7-4-10(3)11-5-6-14-8-12(11)13/h5-6,8-10,15H,4,7H2,1-3H3
InChIKeyZWEGRCVMEKFMAD-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.71
Rot. Bonds5

About 3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine

3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine (PubChem CID 104739416) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine
PubChem CID104739416
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)c1ccncc1F
InChIInChI=1S/C12H19FN2/c1-9(2)15-7-4-10(3)11-5-6-14-8-12(11)13/h5-6,8-10,15H,4,7H2,1-3H3
InChIKeyZWEGRCVMEKFMAD-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine
CID 104739414
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
N-[2-(3-fluoro-4-pyridinyl)ethyl]propan-2-amine
CID 104738943
2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride
CID 84662951
1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine
CID 114246559
3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312287
N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine
CID 130616226
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032
1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720684
N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508
[2-ethoxy-1-(3-fluoro-4-pyridinyl)propyl]hydrazine
CID 105222856
N-(3-fluoro-4-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 107595222

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine (CID 104739416) is 3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)c1ccncc1F.
What is the InChIKey of 3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine?
The InChIKey is ZWEGRCVMEKFMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(2)15-7-4-10(3)11-5-6-14-8-12(11)13/h5-6,8-10,15H,4,7H2,1-3H3.
What are the key properties of 3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine?
3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine has a molecular weight of 210.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 104739416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).