2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

C18H28N2O — CID 79536682

IUPAC2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESCOc1cc(C)ccc1NC1CCCCC1C1CCCN1
InChIInChI=1S/C18H28N2O/c1-13-9-10-17(18(12-13)21-2)20-16-7-4-3-6-14(16)15-8-5-11-19-15/h9-10,12,14-16,19-20H,3-8,11H2,1-2H3
InChIKeyXEZBTSRRQCSHRY-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.73
Rot. Bonds4

About 2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline

2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (PubChem CID 79536682) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
PubChem CID79536682
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
SMILESCOc1cc(C)ccc1NC1CCCCC1C1CCCN1
InChIInChI=1S/C18H28N2O/c1-13-9-10-17(18(12-13)21-2)20-16-7-4-3-6-14(16)15-8-5-11-19-15/h9-10,12,14-16,19-20H,3-8,11H2,1-2H3
InChIKeyXEZBTSRRQCSHRY-UHFFFAOYSA-N
XLogP3.73
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54986
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US9205085, Msx-206
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CID 24782389
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CID 686951
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CID 11984434
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The IUPAC name of 2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline (CID 79536682) is 2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is COc1cc(C)ccc1NC1CCCCC1C1CCCN1.
What is the InChIKey of 2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
The InChIKey is XEZBTSRRQCSHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-9-10-17(18(12-13)21-2)20-16-7-4-3-6-14(16)15-8-5-11-19-15/h9-10,12,14-16,19-20H,3-8,11H2,1-2H3.
What are the key properties of 2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline?
2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline has a molecular weight of 288.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline is sourced from PubChem (CID 79536682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).