N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine

C14H21FN2 — CID 104739444

IUPACN-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1c1ccncc1F
InChIInChI=1S/C14H21FN2/c1-2-16-9-11-5-3-4-6-12(11)13-7-8-17-10-14(13)15/h7-8,10-12,16H,2-6,9H2,1H3
InChIKeyLREQDQNORWQJHX-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.10
Rot. Bonds4

About N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine

N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine (PubChem CID 104739444) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine
PubChem CID104739444
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine
SMILESCCNCC1CCCCC1c1ccncc1F
InChIInChI=1S/C14H21FN2/c1-2-16-9-11-5-3-4-6-12(11)13-7-8-17-10-14(13)15/h7-8,10-12,16H,2-6,9H2,1H3
InChIKeyLREQDQNORWQJHX-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]propan-1-amine
CID 113447373
N-[[2-(3-fluoro-4-pyridinyl)cyclopentyl]methyl]cyclopropanamine
CID 104739441
[2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine
CID 104739408
N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-1-amine
CID 81034471
1-[2-(3-fluoro-4-pyridinyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 104739476
N-[(2-naphthalen-1-ylcyclohexyl)methyl]ethanamine
CID 81028125
N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
CID 81032598
N-[[2-(3,5-difluorophenyl)cycloheptyl]methyl]ethanamine
CID 81025575
N-[[2-(4-chloro-2-fluorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027639
N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
CID 107290780
N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine
CID 81025276
N-[[2-(6-methyl-3-pyridinyl)cycloheptyl]methyl]ethanamine
CID 81025284

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine (CID 104739444) is N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine is CCNCC1CCCCC1c1ccncc1F.
What is the InChIKey of N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine?
The InChIKey is LREQDQNORWQJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-16-9-11-5-3-4-6-12(11)13-7-8-17-10-14(13)15/h7-8,10-12,16H,2-6,9H2,1H3.
What are the key properties of N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine?
N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine has a molecular weight of 236.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-4-pyridinyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 104739444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).