ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline

C18H33NO — CID 143900319

IUPACethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline
SMILESCC.CCCN(CCC)c1ccc(C)c(OC(C)C)c1
InChIInChI=1S/C16H27NO.C2H6/c1-6-10-17(11-7-2)15-9-8-14(5)16(12-15)18-13(3)4;1-2/h8-9,12-13H,6-7,10-11H2,1-5H3;1-2H3
InChIKeyYUAUETJJVDRGDG-UHFFFAOYSA-N
MW279.47 g/mol
LogP5.43
Rot. Bonds7

About ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline

ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline (PubChem CID 143900319) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline.

Molecular Properties

Compound Nameethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline
PubChem CID143900319
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Nameethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline
SMILESCC.CCCN(CCC)c1ccc(C)c(OC(C)C)c1
InChIInChI=1S/C16H27NO.C2H6/c1-6-10-17(11-7-2)15-9-8-14(5)16(12-15)18-13(3)4;1-2/h8-9,12-13H,6-7,10-11H2,1-5H3;1-2H3
InChIKeyYUAUETJJVDRGDG-UHFFFAOYSA-N
XLogP5.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline?
The IUPAC name of ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline (CID 143900319) is ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline.
What is the SMILES notation for ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline?
The canonical SMILES for ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline is CC.CCCN(CCC)c1ccc(C)c(OC(C)C)c1.
What is the InChIKey of ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline?
The InChIKey is YUAUETJJVDRGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.C2H6/c1-6-10-17(11-7-2)15-9-8-14(5)16(12-15)18-13(3)4;1-2/h8-9,12-13H,6-7,10-11H2,1-5H3;1-2H3.
What are the key properties of ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline?
ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline has a molecular weight of 279.47 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3-propan-2-yloxy-N,N-dipropylaniline is sourced from PubChem (CID 143900319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).