N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine

C21H31F2NO2 — CID 153338425

IUPACN-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine
SMILESCOCC1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCOCC1
InChIInChI=1S/C21H31F2NO2/c1-25-15-21(9-12-26-13-10-21)24-11-8-16-2-4-17(5-3-16)19-7-6-18(22)14-20(19)23/h6-7,14,16-17,24H,2-5,8-13,15H2,1H3
InChIKeyNIUJDVDCWKOBJW-UHFFFAOYSA-N
MW367.48 g/mol
LogP4.41
Rot. Bonds7

About N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine

N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine (PubChem CID 153338425) has the molecular formula C21H31F2NO2 and a molecular weight of 367.48 g/mol. Its IUPAC name is N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine
PubChem CID153338425
Molecular FormulaC21H31F2NO2
Molecular Weight367.48 g/mol
Exact Mass367.23
IUPAC NameN-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine
SMILESCOCC1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCOCC1
InChIInChI=1S/C21H31F2NO2/c1-25-15-21(9-12-26-13-10-21)24-11-8-16-2-4-17(5-3-16)19-7-6-18(22)14-20(19)23/h6-7,14,16-17,24H,2-5,8-13,15H2,1H3
InChIKeyNIUJDVDCWKOBJW-UHFFFAOYSA-N
XLogP4.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine?
The IUPAC name of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine (CID 153338425) is N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine.
What is the SMILES notation for N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine?
The canonical SMILES for N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine is COCC1(NCCC2CCC(c3ccc(F)cc3F)CC2)CCOCC1.
What is the InChIKey of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine?
The InChIKey is NIUJDVDCWKOBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F2NO2/c1-25-15-21(9-12-26-13-10-21)24-11-8-16-2-4-17(5-3-16)19-7-6-18(22)14-20(19)23/h6-7,14,16-17,24H,2-5,8-13,15H2,1H3.
What are the key properties of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine?
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine has a molecular weight of 367.48 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine is sourced from PubChem (CID 153338425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).