2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine

C15H28N2O3 — CID 67016805

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)Cc1ccccc1.OCCN(CCO)CCO
InChIInChI=1S/C9H13N.C6H15NO3/c1-10(2)8-9-6-4-3-5-7-9;8-4-1-7(2-5-9)3-6-10/h3-7H,8H2,1-2H3;8-10H,1-6H2
InChIKeyCRDDNFACHODSOM-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.01
Rot. Bonds8

About 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine

2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine (PubChem CID 67016805) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
PubChem CID67016805
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
SMILESCN(C)Cc1ccccc1.OCCN(CCO)CCO
InChIInChI=1S/C9H13N.C6H15NO3/c1-10(2)8-9-6-4-3-5-7-9;8-4-1-7(2-5-9)3-6-10/h3-7H,8H2,1-2H3;8-10H,1-6H2
InChIKeyCRDDNFACHODSOM-UHFFFAOYSA-N
XLogP0.01
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 90732406
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CID 69138278
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CID 71592559
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CID 80601443
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
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CID 20674857
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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine (CID 67016805) is 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine is CN(C)Cc1ccccc1.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine?
The InChIKey is CRDDNFACHODSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C6H15NO3/c1-10(2)8-9-6-4-3-5-7-9;8-4-1-7(2-5-9)3-6-10/h3-7H,8H2,1-2H3;8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine?
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine has a molecular weight of 284.40 g/mol, XLogP of 0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 67016805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).