1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol

C17H27FN2O — CID 83110785

IUPAC1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(C)C1CCC(CN)(C(C)(O)c2ccc(F)cn2)CC1
InChIInChI=1S/C17H27FN2O/c1-12(2)13-6-8-17(11-19,9-7-13)16(3,21)15-5-4-14(18)10-20-15/h4-5,10,12-13,21H,6-9,11,19H2,1-3H3
InChIKeyZMIITDJIQJOQKJ-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.22
Rot. Bonds4

About 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol

1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 83110785) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID83110785
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(C)C1CCC(CN)(C(C)(O)c2ccc(F)cn2)CC1
InChIInChI=1S/C17H27FN2O/c1-12(2)13-6-8-17(11-19,9-7-13)16(3,21)15-5-4-14(18)10-20-15/h4-5,10,12-13,21H,6-9,11,19H2,1-3H3
InChIKeyZMIITDJIQJOQKJ-UHFFFAOYSA-N
XLogP3.22
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol (CID 83110785) is 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol is CC(C)C1CCC(CN)(C(C)(O)c2ccc(F)cn2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is ZMIITDJIQJOQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-12(2)13-6-8-17(11-19,9-7-13)16(3,21)15-5-4-14(18)10-20-15/h4-5,10,12-13,21H,6-9,11,19H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol?
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 294.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 83110785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).