N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline

C18H27NO — CID 64624806

IUPACN-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline
SMILESCCOc1ccc(NC2CCCC(C3CC3)C2)c(C)c1
InChIInChI=1S/C18H27NO/c1-3-20-17-9-10-18(13(2)11-17)19-16-6-4-5-15(12-16)14-7-8-14/h9-11,14-16,19H,3-8,12H2,1-2H3
InChIKeyYGFSGPVZWVYLPL-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.77
Rot. Bonds5

About N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline

N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline (PubChem CID 64624806) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline
PubChem CID64624806
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline
SMILESCCOc1ccc(NC2CCCC(C3CC3)C2)c(C)c1
InChIInChI=1S/C18H27NO/c1-3-20-17-9-10-18(13(2)11-17)19-16-6-4-5-15(12-16)14-7-8-14/h9-11,14-16,19H,3-8,12H2,1-2H3
InChIKeyYGFSGPVZWVYLPL-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline (CID 64624806) is N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline is CCOc1ccc(NC2CCCC(C3CC3)C2)c(C)c1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline?
The InChIKey is YGFSGPVZWVYLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-20-17-9-10-18(13(2)11-17)19-16-6-4-5-15(12-16)14-7-8-14/h9-11,14-16,19H,3-8,12H2,1-2H3.
What are the key properties of N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline?
N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline has a molecular weight of 273.42 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline is sourced from PubChem (CID 64624806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).