N,N-dimethylmethanamine;2-phenylacetaldehyde

C11H17NO — CID 87974312

IUPACN,N-dimethylmethanamine;2-phenylacetaldehyde
SMILESCN(C)C.O=CCc1ccccc1
InChIInChI=1S/C8H8O.C3H9N/c9-7-6-8-4-2-1-3-5-8;1-4(2)3/h1-5,7H,6H2;1-3H3
InChIKeyZBDWQLPHNFVLNT-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.61
Rot. Bonds2

About N,N-dimethylmethanamine;2-phenylacetaldehyde

N,N-dimethylmethanamine;2-phenylacetaldehyde (PubChem CID 87974312) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-phenylacetaldehyde.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-phenylacetaldehyde
PubChem CID87974312
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN,N-dimethylmethanamine;2-phenylacetaldehyde
SMILESCN(C)C.O=CCc1ccccc1
InChIInChI=1S/C8H8O.C3H9N/c9-7-6-8-4-2-1-3-5-8;1-4(2)3/h1-5,7H,6H2;1-3H3
InChIKeyZBDWQLPHNFVLNT-UHFFFAOYSA-N
XLogP1.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methylmethanamine;2-phenylacetaldehyde
CID 175168726
lithium;hydride;2-phenylacetaldehyde
CID 173089556
butanal;2-phenylacetaldehyde
CID 161135702
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde
CID 155712860
methyl hydrogen carbonate;2-phenylacetaldehyde
CID 175092622
ethane;2-[4-(2-oxoethyl)phenyl]acetaldehyde
CID 90946532
2-[4-(dimethylamino)phenyl]acetaldehyde
CID 15114335
2-phenylacetaldehyde;pyrrolidine
CID 23356706
sodium;hydrogen sulfite;2-phenylacetaldehyde
CID 158174517
N,N-dimethyl-3-phenylprop-1-en-1-amine
CID 56975797
morpholine;2-phenylacetaldehyde
CID 174954462
CID 134904484
CID 134904484

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-phenylacetaldehyde?
The IUPAC name of N,N-dimethylmethanamine;2-phenylacetaldehyde (CID 87974312) is N,N-dimethylmethanamine;2-phenylacetaldehyde.
What is the SMILES notation for N,N-dimethylmethanamine;2-phenylacetaldehyde?
The canonical SMILES for N,N-dimethylmethanamine;2-phenylacetaldehyde is CN(C)C.O=CCc1ccccc1.
What is the InChIKey of N,N-dimethylmethanamine;2-phenylacetaldehyde?
The InChIKey is ZBDWQLPHNFVLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C3H9N/c9-7-6-8-4-2-1-3-5-8;1-4(2)3/h1-5,7H,6H2;1-3H3.
What are the key properties of N,N-dimethylmethanamine;2-phenylacetaldehyde?
N,N-dimethylmethanamine;2-phenylacetaldehyde has a molecular weight of 179.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2-phenylacetaldehyde is sourced from PubChem (CID 87974312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).