ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen

C14H27NO — CID 172602788

IUPACethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen
SMILESCC.CCOCc1ccc(NC(C)C)cc1.[H][H]
InChIInChI=1S/C12H19NO.C2H6.H2/c1-4-14-9-11-5-7-12(8-6-11)13-10(2)3;1-2;/h5-8,10,13H,4,9H2,1-3H3;1-2H3;1H
InChIKeyWIAOCZCFGWETHL-UHFFFAOYSA-N
MW225.38 g/mol
LogP4.32
Rot. Bonds5

About ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen

ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen (PubChem CID 172602788) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen.

Molecular Properties

Compound Nameethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen
PubChem CID172602788
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Nameethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen
SMILESCC.CCOCc1ccc(NC(C)C)cc1.[H][H]
InChIInChI=1S/C12H19NO.C2H6.H2/c1-4-14-9-11-5-7-12(8-6-11)13-10(2)3;1-2;/h5-8,10,13H,4,9H2,1-3H3;1-2H3;1H
InChIKeyWIAOCZCFGWETHL-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen?
The IUPAC name of ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen (CID 172602788) is ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen.
What is the SMILES notation for ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen?
The canonical SMILES for ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen is CC.CCOCc1ccc(NC(C)C)cc1.[H][H].
What is the InChIKey of ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen?
The InChIKey is WIAOCZCFGWETHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C2H6.H2/c1-4-14-9-11-5-7-12(8-6-11)13-10(2)3;1-2;/h5-8,10,13H,4,9H2,1-3H3;1-2H3;1H.
What are the key properties of ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen?
ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen has a molecular weight of 225.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(ethoxymethyl)-N-propan-2-ylaniline;molecular hydrogen is sourced from PubChem (CID 172602788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).