(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine

C14H21FN2 — CID 79722319

IUPAC(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine
SMILESCCC1CCCCC1C(N)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2/c1-2-10-5-3-4-6-12(10)14(16)13-8-7-11(15)9-17-13/h7-10,12,14H,2-6,16H2,1H3
InChIKeyKLGCMHLPXRWPRF-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.44
Rot. Bonds3

About (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine

(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine (PubChem CID 79722319) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine
PubChem CID79722319
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine
SMILESCCC1CCCCC1C(N)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2/c1-2-10-5-3-4-6-12(10)14(16)13-8-7-11(15)9-17-13/h7-10,12,14H,2-6,16H2,1H3
InChIKeyKLGCMHLPXRWPRF-UHFFFAOYSA-N
XLogP3.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine?
The IUPAC name of (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine (CID 79722319) is (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine.
What is the SMILES notation for (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine?
The canonical SMILES for (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine is CCC1CCCCC1C(N)c1ccc(F)cn1.
What is the InChIKey of (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine?
The InChIKey is KLGCMHLPXRWPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-10-5-3-4-6-12(10)14(16)13-8-7-11(15)9-17-13/h7-10,12,14H,2-6,16H2,1H3.
What are the key properties of (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine?
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine has a molecular weight of 236.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 79722319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).