2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine

C14H21FN2 — CID 81014840

IUPAC2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(c2cncc(F)c2)C1
InChIInChI=1S/C14H21FN2/c1-9(2)10-3-4-14(16)13(6-10)11-5-12(15)8-17-7-11/h5,7-10,13-14H,3-4,6,16H2,1-2H3
InChIKeyHPAQLNTWKGVNRW-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.09
Rot. Bonds2

About 2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine

2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 81014840) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID81014840
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(c2cncc(F)c2)C1
InChIInChI=1S/C14H21FN2/c1-9(2)10-3-4-14(16)13(6-10)11-5-12(15)8-17-7-11/h5,7-10,13-14H,3-4,6,16H2,1-2H3
InChIKeyHPAQLNTWKGVNRW-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine (CID 81014840) is 2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(c2cncc(F)c2)C1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is HPAQLNTWKGVNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-9(2)10-3-4-14(16)13(6-10)11-5-12(15)8-17-7-11/h5,7-10,13-14H,3-4,6,16H2,1-2H3.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine?
2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81014840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).