[4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine

C17H27NO — CID 81009765

IUPAC[4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
SMILESCC1CCC(CN)C(c2ccccc2OC(C)C)C1
InChIInChI=1S/C17H27NO/c1-12(2)19-17-7-5-4-6-15(17)16-10-13(3)8-9-14(16)11-18/h4-7,12-14,16H,8-11,18H2,1-3H3
InChIKeyCRBVCDUGIIOGNX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.95
Rot. Bonds4

About [4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine

[4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine (PubChem CID 81009765) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
PubChem CID81009765
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
SMILESCC1CCC(CN)C(c2ccccc2OC(C)C)C1
InChIInChI=1S/C17H27NO/c1-12(2)19-17-7-5-4-6-15(17)16-10-13(3)8-9-14(16)11-18/h4-7,12-14,16H,8-11,18H2,1-3H3
InChIKeyCRBVCDUGIIOGNX-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine (CID 81009765) is [4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine is CC1CCC(CN)C(c2ccccc2OC(C)C)C1.
What is the InChIKey of [4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine?
The InChIKey is CRBVCDUGIIOGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)19-17-7-5-4-6-15(17)16-10-13(3)8-9-14(16)11-18/h4-7,12-14,16H,8-11,18H2,1-3H3.
What are the key properties of [4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine?
[4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 81009765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).