N,N-diethylethanamine;phenylmethanol

C13H23NO — CID 66825555

IUPACN,N-diethylethanamine;phenylmethanol
SMILESCCN(CC)CC.OCc1ccccc1
InChIInChI=1S/C7H8O.C6H15N/c8-6-7-4-2-1-3-5-7;1-4-7(5-2)6-3/h1-5,8H,6H2;4-6H2,1-3H3
InChIKeyGXSKKEQDZDDIQS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.53
Rot. Bonds4

About N,N-diethylethanamine;phenylmethanol

N,N-diethylethanamine;phenylmethanol (PubChem CID 66825555) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N,N-diethylethanamine;phenylmethanol.

Molecular Properties

Compound NameN,N-diethylethanamine;phenylmethanol
PubChem CID66825555
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN,N-diethylethanamine;phenylmethanol
SMILESCCN(CC)CC.OCc1ccccc1
InChIInChI=1S/C7H8O.C6H15N/c8-6-7-4-2-1-3-5-7;1-4-7(5-2)6-3/h1-5,8H,6H2;4-6H2,1-3H3
InChIKeyGXSKKEQDZDDIQS-UHFFFAOYSA-N
XLogP2.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;phenylmethanol?
The IUPAC name of N,N-diethylethanamine;phenylmethanol (CID 66825555) is N,N-diethylethanamine;phenylmethanol.
What is the SMILES notation for N,N-diethylethanamine;phenylmethanol?
The canonical SMILES for N,N-diethylethanamine;phenylmethanol is CCN(CC)CC.OCc1ccccc1.
What is the InChIKey of N,N-diethylethanamine;phenylmethanol?
The InChIKey is GXSKKEQDZDDIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H15N/c8-6-7-4-2-1-3-5-7;1-4-7(5-2)6-3/h1-5,8H,6H2;4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;phenylmethanol?
N,N-diethylethanamine;phenylmethanol has a molecular weight of 209.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;phenylmethanol is sourced from PubChem (CID 66825555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).