N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine

C15H22F2N2O — CID 105175259

IUPACN-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OC)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H22F2N2O/c1-3-19-14(11-4-6-15(16,17)7-5-11)12-8-13(20-2)10-18-9-12/h8-11,14,19H,3-7H2,1-2H3
InChIKeyMQLUGSAMNRJTAZ-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.57
Rot. Bonds5

About N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine

N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 105175259) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
PubChem CID105175259
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(OC)c1)C1CCC(F)(F)CC1
InChIInChI=1S/C15H22F2N2O/c1-3-19-14(11-4-6-15(16,17)7-5-11)12-8-13(20-2)10-18-9-12/h8-11,14,19H,3-7H2,1-2H3
InChIKeyMQLUGSAMNRJTAZ-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,4-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 65392232
[(4,4-difluorocyclohexyl)-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105323920
[cyclooctyl-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105255257
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
1-(4-butylcyclohexyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105026025
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine
CID 103312224
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 116714615
N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 65392039
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
CID 105165589

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine (CID 105175259) is N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(OC)c1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is MQLUGSAMNRJTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-3-19-14(11-4-6-15(16,17)7-5-11)12-8-13(20-2)10-18-9-12/h8-11,14,19H,3-7H2,1-2H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine?
N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 284.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105175259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).