N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium

C13H25N2O+ — CID 173434737

IUPACN,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium
SMILESCC[N+](C)(C)O.CN(C)Cc1ccccc1
InChIInChI=1S/C9H13N.C4H12NO/c1-10(2)8-9-6-4-3-5-7-9;1-4-5(2,3)6/h3-7H,8H2,1-2H3;6H,4H2,1-3H3/q;+1
InChIKeyPATVGMRRSVKMQP-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.22
Rot. Bonds3

About N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium

N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium (PubChem CID 173434737) has the molecular formula C13H25N2O+ and a molecular weight of 225.36 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium
PubChem CID173434737
Molecular FormulaC13H25N2O+
Molecular Weight225.36 g/mol
Exact Mass225.20
IUPAC NameN,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium
SMILESCC[N+](C)(C)O.CN(C)Cc1ccccc1
InChIInChI=1S/C9H13N.C4H12NO/c1-10(2)8-9-6-4-3-5-7-9;1-4-5(2,3)6/h3-7H,8H2,1-2H3;6H,4H2,1-3H3/q;+1
InChIKeyPATVGMRRSVKMQP-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium (CID 173434737) is N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium is CC[N+](C)(C)O.CN(C)Cc1ccccc1.
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium?
The InChIKey is PATVGMRRSVKMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C4H12NO/c1-10(2)8-9-6-4-3-5-7-9;1-4-5(2,3)6/h3-7H,8H2,1-2H3;6H,4H2,1-3H3/q;+1.
What are the key properties of N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium?
N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium has a molecular weight of 225.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylmethanamine;ethyl-hydroxy-dimethylazanium is sourced from PubChem (CID 173434737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).