N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine

C16H25FN2O2 — CID 105391510

IUPACN-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OC2CCCC(OC)C2)c1F
InChIInChI=1S/C16H25FN2O2/c1-3-8-18-11-12-7-9-19-16(15(12)17)21-14-6-4-5-13(10-14)20-2/h7,9,13-14,18H,3-6,8,10-11H2,1-2H3
InChIKeyTUUASTCRSYCQEB-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.06
Rot. Bonds7

About N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine

N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine (PubChem CID 105391510) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
PubChem CID105391510
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(OC2CCCC(OC)C2)c1F
InChIInChI=1S/C16H25FN2O2/c1-3-8-18-11-12-7-9-19-16(15(12)17)21-14-6-4-5-13(10-14)20-2/h7,9,13-14,18H,3-6,8,10-11H2,1-2H3
InChIKeyTUUASTCRSYCQEB-UHFFFAOYSA-N
XLogP3.06
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-fluoro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105390827
N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105390709
N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine
CID 105390729
N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 102967782
N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 105390723
N-[[3-fluoro-2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]propan-1-amine
CID 105390919
N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391574
[3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
CID 105390958
N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391746
N-[[2-(2-ethoxyethoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390809
N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105391480
4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine
CID 105383733

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine (CID 105391510) is N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine is CCCNCc1ccnc(OC2CCCC(OC)C2)c1F.
What is the InChIKey of N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is TUUASTCRSYCQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-3-8-18-11-12-7-9-19-16(15(12)17)21-14-6-4-5-13(10-14)20-2/h7,9,13-14,18H,3-6,8,10-11H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine?
N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 296.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 105391510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).