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

C20H31NO — CID 163745529

IUPACN-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine
SMILESCc1ccccc1C1CCC(CCNC2CCOCC2)CC1
InChIInChI=1S/C20H31NO/c1-16-4-2-3-5-20(16)18-8-6-17(7-9-18)10-13-21-19-11-14-22-15-12-19/h2-5,17-19,21H,6-15H2,1H3
InChIKeyLLNMLMAAZAOXCL-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.43
Rot. Bonds5

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

N-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine (PubChem CID 163745529) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine
PubChem CID163745529
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine
SMILESCc1ccccc1C1CCC(CCNC2CCOCC2)CC1
InChIInChI=1S/C20H31NO/c1-16-4-2-3-5-20(16)18-8-6-17(7-9-18)10-13-21-19-11-14-22-15-12-19/h2-5,17-19,21H,6-15H2,1H3
InChIKeyLLNMLMAAZAOXCL-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.43
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-methylphenyl)cyclohexyl]ethyl]oxan-4-amine?
The IUPAC name of N-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine (CID 163745529) is N-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine?
The canonical SMILES for N-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine is Cc1ccccc1C1CCC(CCNC2CCOCC2)CC1.
What is the InChIKey of N-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine?
The InChIKey is LLNMLMAAZAOXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-16-4-2-3-5-20(16)18-8-6-17(7-9-18)10-13-21-19-11-14-22-15-12-19/h2-5,17-19,21H,6-15H2,1H3.
What are the key properties of N-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine?
N-[2-[4-(2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine has a molecular weight of 301.47 g/mol, XLogP of 4.43, 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-methylphenyl)cyclohexyl]ethyl]oxan-4-amine is sourced from PubChem (CID 163745529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).