N,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline

C16H25NO — CID 90039164

IUPACN,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline
SMILESC/C=C/c1ccc(N(CC)CC)cc1OC(C)C
InChIInChI=1S/C16H25NO/c1-6-9-14-10-11-15(17(7-2)8-3)12-16(14)18-13(4)5/h6,9-13H,7-8H2,1-5H3/b9-6+
InChIKeyQUTGNVSFRKJJPW-RMKNXTFCSA-N
MW247.38 g/mol
LogP4.35
Rot. Bonds6

About N,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline

N,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline (PubChem CID 90039164) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline
PubChem CID90039164
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline
SMILESC/C=C/c1ccc(N(CC)CC)cc1OC(C)C
InChIInChI=1S/C16H25NO/c1-6-9-14-10-11-15(17(7-2)8-3)12-16(14)18-13(4)5/h6,9-13H,7-8H2,1-5H3/b9-6+
InChIKeyQUTGNVSFRKJJPW-RMKNXTFCSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline?
The IUPAC name of N,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline (CID 90039164) is N,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline.
What is the SMILES notation for N,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline?
The canonical SMILES for N,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline is C/C=C/c1ccc(N(CC)CC)cc1OC(C)C.
What is the InChIKey of N,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline?
The InChIKey is QUTGNVSFRKJJPW-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-9-14-10-11-15(17(7-2)8-3)12-16(14)18-13(4)5/h6,9-13H,7-8H2,1-5H3/b9-6+.
What are the key properties of N,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline?
N,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline has a molecular weight of 247.38 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-propan-2-yloxy-4-[(E)-prop-1-enyl]aniline is sourced from PubChem (CID 90039164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).