2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline

C20H25NO — CID 2847498

IUPAC2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline
SMILESCOc1ccc(-c2ccccc2)cc1NC1CCCC(C)C1
InChIInChI=1S/C20H25NO/c1-15-7-6-10-18(13-15)21-19-14-17(11-12-20(19)22-2)16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,18,21H,6-7,10,13H2,1-2H3
InChIKeyQBWVIRMQTUBLOI-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.35
Rot. Bonds4

About 2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline

2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline (PubChem CID 2847498) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline.

Molecular Properties

Compound Name2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline
PubChem CID2847498
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline
SMILESCOc1ccc(-c2ccccc2)cc1NC1CCCC(C)C1
InChIInChI=1S/C20H25NO/c1-15-7-6-10-18(13-15)21-19-14-17(11-12-20(19)22-2)16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,18,21H,6-7,10,13H2,1-2H3
InChIKeyQBWVIRMQTUBLOI-UHFFFAOYSA-N
XLogP5.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline?
The IUPAC name of 2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline (CID 2847498) is 2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline.
What is the SMILES notation for 2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline?
The canonical SMILES for 2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline is COc1ccc(-c2ccccc2)cc1NC1CCCC(C)C1.
What is the InChIKey of 2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline?
The InChIKey is QBWVIRMQTUBLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15-7-6-10-18(13-15)21-19-14-17(11-12-20(19)22-2)16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,18,21H,6-7,10,13H2,1-2H3.
What are the key properties of 2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline?
2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline has a molecular weight of 295.43 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methylcyclohexyl)-5-phenylaniline is sourced from PubChem (CID 2847498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).