3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine

Name: 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₁FN₂ — CID 112567654

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine

SMILESCCc1ccc(CC2(F)CCCC(N)C2)nc1

InChIInChI=1S/C14H21FN2/c1-2-11-5-6-13(17-10-11)9-14(15)7-3-4-12(16)8-14/h5-6,10,12H,2-4,7-9,16H2,1H3

InChIKeyHWGKPHUFVGCQRR-UHFFFAOYSA-N

MW236.33 g/mol

LogP2.80

Rot. Bonds3

About 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine

3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine (PubChem CID 112567654) has the molecular formula C₁₄H₂₁FN₂ and a molecular weight of 236.33 g/mol. Its IUPAC name is 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name	3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine
PubChem CID	112567654
Molecular Formula	C₁₄H₂₁FN₂
Molecular Weight	236.33 g/mol
Exact Mass	236.17
IUPAC Name	3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine
SMILES	CCc1ccc(CC2(F)CCCC(N)C2)nc1
InChI	InChI=1S/C14H21FN2/c1-2-11-5-6-13(17-10-11)9-14(15)7-3-4-12(16)8-14/h5-6,10,12H,2-4,7-9,16H2,1H3
InChIKey	HWGKPHUFVGCQRR-UHFFFAOYSA-N
XLogP	2.80
TPSA	38.91 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.33
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine?

The IUPAC name of 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine (CID 112567654) is 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine.

What is the SMILES notation for 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine?

The canonical SMILES for 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine is CCc1ccc(CC2(F)CCCC(N)C2)nc1.

What is the InChIKey of 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine?

The InChIKey is HWGKPHUFVGCQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-11-5-6-13(17-10-11)9-14(15)7-3-4-12(16)8-14/h5-6,10,12H,2-4,7-9,16H2,1H3.

What are the key properties of 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine?

3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine has a molecular weight of 236.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-ethyl-2-pyridinyl)methyl]-3-fluorocyclohexan-1-amine is sourced from PubChem (CID 112567654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 112567654 — identifiers, structure, computed properties (public domain)

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