2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine

C18H29NO — CID 114340874

IUPAC2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)COC2CCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C18H29NO/c1-13-5-6-16(14(2)11-13)17(19)12-20-15-7-9-18(3,4)10-8-15/h5-6,11,15,17H,7-10,12,19H2,1-4H3
InChIKeyGZXSHNUEJHGGLX-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.29
Rot. Bonds4

About 2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine

2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine (PubChem CID 114340874) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine
PubChem CID114340874
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(N)COC2CCC(C)(C)CC2)c(C)c1
InChIInChI=1S/C18H29NO/c1-13-5-6-16(14(2)11-13)17(19)12-20-15-7-9-18(3,4)10-8-15/h5-6,11,15,17H,7-10,12,19H2,1-4H3
InChIKeyGZXSHNUEJHGGLX-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine (CID 114340874) is 2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine is Cc1ccc(C(N)COC2CCC(C)(C)CC2)c(C)c1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine?
The InChIKey is GZXSHNUEJHGGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-5-6-16(14(2)11-13)17(19)12-20-15-7-9-18(3,4)10-8-15/h5-6,11,15,17H,7-10,12,19H2,1-4H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine?
2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 114340874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).