(3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine

C14H21FN2 — CID 65414138

IUPAC(3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine
SMILESCCC1CCCC(C(N)c2cncc(F)c2)C1
InChIInChI=1S/C14H21FN2/c1-2-10-4-3-5-11(6-10)14(16)12-7-13(15)9-17-8-12/h7-11,14H,2-6,16H2,1H3
InChIKeyGNTZMWVRFXFMNF-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.44
Rot. Bonds3

About (3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine

(3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine (PubChem CID 65414138) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine
PubChem CID65414138
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name(3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine
SMILESCCC1CCCC(C(N)c2cncc(F)c2)C1
InChIInChI=1S/C14H21FN2/c1-2-10-4-3-5-11(6-10)14(16)12-7-13(15)9-17-8-12/h7-11,14H,2-6,16H2,1H3
InChIKeyGNTZMWVRFXFMNF-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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Related Compounds

(3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144345
(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65414540
(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992584
(3-ethylcyclopentyl)-(4-fluorophenyl)methanamine
CID 65410226
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 82770138
(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 65415344
(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol
CID 115808567
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415745
(3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine
CID 81228911
[(3-ethylcyclohexyl)-(3-fluorophenyl)methyl]hydrazine
CID 105193023
N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115804158

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine?
The IUPAC name of (3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine (CID 65414138) is (3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine.
What is the SMILES notation for (3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine?
The canonical SMILES for (3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine is CCC1CCCC(C(N)c2cncc(F)c2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine?
The InChIKey is GNTZMWVRFXFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-10-4-3-5-11(6-10)14(16)12-7-13(15)9-17-8-12/h7-11,14H,2-6,16H2,1H3.
What are the key properties of (3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine?
(3-ethylcyclohexyl)-(5-fluoro-3-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 (3-ethylcyclohexyl)-(5-fluoro-3-pyridinyl)methanamine is sourced from PubChem (CID 65414138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).