N-cyclohexyl-2-methoxy-N-propylaniline

C16H25NO — CID 138322865

IUPACN-cyclohexyl-2-methoxy-N-propylaniline
SMILESCCCN(c1ccccc1OC)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-3-13-17(14-9-5-4-6-10-14)15-11-7-8-12-16(15)18-2/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3
InChIKeyVNSMHPQOHHHHRQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.24
Rot. Bonds5

About N-cyclohexyl-2-methoxy-N-propylaniline

N-cyclohexyl-2-methoxy-N-propylaniline (PubChem CID 138322865) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-cyclohexyl-2-methoxy-N-propylaniline.

Molecular Properties

Compound NameN-cyclohexyl-2-methoxy-N-propylaniline
PubChem CID138322865
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-cyclohexyl-2-methoxy-N-propylaniline
SMILESCCCN(c1ccccc1OC)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-3-13-17(14-9-5-4-6-10-14)15-11-7-8-12-16(15)18-2/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3
InChIKeyVNSMHPQOHHHHRQ-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methoxy-N-propylaniline?
The IUPAC name of N-cyclohexyl-2-methoxy-N-propylaniline (CID 138322865) is N-cyclohexyl-2-methoxy-N-propylaniline.
What is the SMILES notation for N-cyclohexyl-2-methoxy-N-propylaniline?
The canonical SMILES for N-cyclohexyl-2-methoxy-N-propylaniline is CCCN(c1ccccc1OC)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methoxy-N-propylaniline?
The InChIKey is VNSMHPQOHHHHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-17(14-9-5-4-6-10-14)15-11-7-8-12-16(15)18-2/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3.
What are the key properties of N-cyclohexyl-2-methoxy-N-propylaniline?
N-cyclohexyl-2-methoxy-N-propylaniline has a molecular weight of 247.38 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methoxy-N-propylaniline is sourced from PubChem (CID 138322865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).