2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine

C18H29NO — CID 43093849

IUPAC2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC1CCC(OCC(N)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H29NO/c1-13(2)15-6-8-16(9-7-15)18(19)12-20-17-10-4-14(3)5-11-17/h6-9,13-14,17-18H,4-5,10-12,19H2,1-3H3
InChIKeyCMYPTUDECIATMN-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.41
Rot. Bonds5

About 2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine

2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 43093849) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID43093849
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC1CCC(OCC(N)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H29NO/c1-13(2)15-6-8-16(9-7-15)18(19)12-20-17-10-4-14(3)5-11-17/h6-9,13-14,17-18H,4-5,10-12,19H2,1-3H3
InChIKeyCMYPTUDECIATMN-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyloxy-1-(4-methylphenyl)ethanamine
CID 16787694
2-(3,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
CID 64746525
2-cyclobutyloxy-1-(4-propylphenyl)ethanamine
CID 62139683
2-(4-methylcyclohexyl)oxy-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 45253532
2-(cyclopropylmethoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 43211666
1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine
CID 61287973
2-(4,4-dimethylcyclohexyl)oxy-1-(4-methylphenyl)ethanamine
CID 114340843
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569
(2R)-1-cyclopropyloxypropan-2-amine
CID 171329250
1-(4-tert-butylphenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 43127981
(1S)-1-[4-(4-methylcyclohexyl)oxyphenyl]propan-1-amine
CID 78999289
1-[4-(2-methylpropyl)phenyl]-2-(oxolan-3-yloxy)ethanamine
CID 63558840

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine (CID 43093849) is 2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine is CC1CCC(OCC(N)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is CMYPTUDECIATMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)15-6-8-16(9-7-15)18(19)12-20-17-10-4-14(3)5-11-17/h6-9,13-14,17-18H,4-5,10-12,19H2,1-3H3.
What are the key properties of 2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine?
2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxy-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 43093849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).