N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine

C19H28ClFN2O — CID 153338617

IUPACN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine
SMILESCC1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCOCC1
InChIInChI=1S/C19H28ClFN2O/c1-19(7-10-24-11-8-19)23-9-6-14-2-4-15(5-3-14)18-17(20)12-16(21)13-22-18/h12-15,23H,2-11H2,1H3
InChIKeyDMFCJXVGVKEPRA-UHFFFAOYSA-N
MW354.90 g/mol
LogP4.70
Rot. Bonds5

About N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine

N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine (PubChem CID 153338617) has the molecular formula C19H28ClFN2O and a molecular weight of 354.90 g/mol. Its IUPAC name is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine
PubChem CID153338617
Molecular FormulaC19H28ClFN2O
Molecular Weight354.90 g/mol
Exact Mass354.19
IUPAC NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine
SMILESCC1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCOCC1
InChIInChI=1S/C19H28ClFN2O/c1-19(7-10-24-11-8-19)23-9-6-14-2-4-15(5-3-14)18-17(20)12-16(21)13-22-18/h12-15,23H,2-11H2,1H3
InChIKeyDMFCJXVGVKEPRA-UHFFFAOYSA-N
XLogP4.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US11365191, Example 78
CID 153338555
US11365191, Example 164
CID 148925175
US11365191, Example 151
CID 152103749
US11365191, Example 180
CID 153338431
US11365191, Example 145
CID 153338433
US11365191, Example 153
CID 153338439
US11365191, Example 62
CID 153338498
US11365191, Example 1
CID 153338511
US11365191, Example 22
CID 153338535
US11365191, Example 108
CID 153338537
US11365191, Example 126
CID 153338592
US11365191, Example 165
CID 153338596

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine?
The IUPAC name of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine (CID 153338617) is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine.
What is the SMILES notation for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine?
The canonical SMILES for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine is CC1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCOCC1.
What is the InChIKey of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine?
The InChIKey is DMFCJXVGVKEPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClFN2O/c1-19(7-10-24-11-8-19)23-9-6-14-2-4-15(5-3-14)18-17(20)12-16(21)13-22-18/h12-15,23H,2-11H2,1H3.
What are the key properties of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine?
N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine has a molecular weight of 354.90 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-methyloxan-4-amine is sourced from PubChem (CID 153338617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).