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

C20H30ClFN2O2 — CID 153338433

IUPACN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine
SMILESCOCC1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCOCC1
InChIInChI=1S/C20H30ClFN2O2/c1-25-14-20(7-10-26-11-8-20)24-9-6-15-2-4-16(5-3-15)19-18(21)12-17(22)13-23-19/h12-13,15-16,24H,2-11,14H2,1H3
InChIKeyBWCFUHWCTXXGRC-UHFFFAOYSA-N
MW384.92 g/mol
LogP4.32
Rot. Bonds7

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

N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine (PubChem CID 153338433) has the molecular formula C20H30ClFN2O2 and a molecular weight of 384.92 g/mol. Its IUPAC name is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine
PubChem CID153338433
Molecular FormulaC20H30ClFN2O2
Molecular Weight384.92 g/mol
Exact Mass384.20
IUPAC NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine
SMILESCOCC1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCOCC1
InChIInChI=1S/C20H30ClFN2O2/c1-25-14-20(7-10-26-11-8-20)24-9-6-15-2-4-16(5-3-15)19-18(21)12-17(22)13-23-19/h12-13,15-16,24H,2-11,14H2,1H3
InChIKeyBWCFUHWCTXXGRC-UHFFFAOYSA-N
XLogP4.32
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.92
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine?
The IUPAC name of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine (CID 153338433) is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine.
What is the SMILES notation for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine?
The canonical SMILES for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine is COCC1(NCCC2CCC(c3ncc(F)cc3Cl)CC2)CCOCC1.
What is the InChIKey of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine?
The InChIKey is BWCFUHWCTXXGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClFN2O2/c1-25-14-20(7-10-26-11-8-20)24-9-6-15-2-4-16(5-3-15)19-18(21)12-17(22)13-23-19/h12-13,15-16,24H,2-11,14H2,1H3.
What are the key properties of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine?
N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine has a molecular weight of 384.92 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine is sourced from PubChem (CID 153338433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).