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

C19H27F2NO — CID 153338531

IUPACN-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine
SMILESFc1ccc(C2CCC(CCNC3CCOCC3)CC2)c(F)c1
InChIInChI=1S/C19H27F2NO/c20-16-5-6-18(19(21)13-16)15-3-1-14(2-4-15)7-10-22-17-8-11-23-12-9-17/h5-6,13-15,17,22H,1-4,7-12H2
InChIKeyKNOQPXRQJWVZSB-UHFFFAOYSA-N
MW323.43 g/mol
LogP4.40
Rot. Bonds5

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

N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine (PubChem CID 153338531) has the molecular formula C19H27F2NO and a molecular weight of 323.43 g/mol. Its IUPAC name is N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine
PubChem CID153338531
Molecular FormulaC19H27F2NO
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC NameN-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine
SMILESFc1ccc(C2CCC(CCNC3CCOCC3)CC2)c(F)c1
InChIInChI=1S/C19H27F2NO/c20-16-5-6-18(19(21)13-16)15-3-1-14(2-4-15)7-10-22-17-8-11-23-12-9-17/h5-6,13-15,17,22H,1-4,7-12H2
InChIKeyKNOQPXRQJWVZSB-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine?
The IUPAC name of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine (CID 153338531) is N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine?
The canonical SMILES for N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine is Fc1ccc(C2CCC(CCNC3CCOCC3)CC2)c(F)c1.
What is the InChIKey of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine?
The InChIKey is KNOQPXRQJWVZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2NO/c20-16-5-6-18(19(21)13-16)15-3-1-14(2-4-15)7-10-22-17-8-11-23-12-9-17/h5-6,13-15,17,22H,1-4,7-12H2.
What are the key properties of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine?
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine has a molecular weight of 323.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine is sourced from PubChem (CID 153338531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).