methanamine;2-(2-phenylethoxy)acetaldehyde

C11H17NO2 — CID 156720060

IUPACmethanamine;2-(2-phenylethoxy)acetaldehyde
SMILESCN.O=CCOCCc1ccccc1
InChIInChI=1S/C10H12O2.CH5N/c11-7-9-12-8-6-10-4-2-1-3-5-10;1-2/h1-5,7H,6,8-9H2;2H2,1H3
InChIKeyAWSXDNYNPUKBJF-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.02
Rot. Bonds5

About methanamine;2-(2-phenylethoxy)acetaldehyde

methanamine;2-(2-phenylethoxy)acetaldehyde (PubChem CID 156720060) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methanamine;2-(2-phenylethoxy)acetaldehyde.

Molecular Properties

Compound Namemethanamine;2-(2-phenylethoxy)acetaldehyde
PubChem CID156720060
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethanamine;2-(2-phenylethoxy)acetaldehyde
SMILESCN.O=CCOCCc1ccccc1
InChIInChI=1S/C10H12O2.CH5N/c11-7-9-12-8-6-10-4-2-1-3-5-10;1-2/h1-5,7H,6,8-9H2;2H2,1H3
InChIKeyAWSXDNYNPUKBJF-UHFFFAOYSA-N
XLogP1.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylmethoxypropoxy)acetaldehyde
CID 135080827
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
2-methylperoxyethylbenzene;propanal
CID 91084545
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
methanamine;naphthalene;3-phenylpropanal;propane
CID 144589315
2-(2-pyridin-2-ylethoxy)acetaldehyde
CID 54223442
2-phenylethyl acetate
CID 7654
ethane;methanamine;11-phenylundecanal
CID 153398504
2-methoxyethylbenzene
CID 19089
2-(2-methoxyethoxy)acetaldehyde;N-methylaniline
CID 142275920
2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid
CID 114987450
acetic acid;2-phenylethyl acetate
CID 174791962

Frequently Asked Questions

What is the IUPAC name of methanamine;2-(2-phenylethoxy)acetaldehyde?
The IUPAC name of methanamine;2-(2-phenylethoxy)acetaldehyde (CID 156720060) is methanamine;2-(2-phenylethoxy)acetaldehyde.
What is the SMILES notation for methanamine;2-(2-phenylethoxy)acetaldehyde?
The canonical SMILES for methanamine;2-(2-phenylethoxy)acetaldehyde is CN.O=CCOCCc1ccccc1.
What is the InChIKey of methanamine;2-(2-phenylethoxy)acetaldehyde?
The InChIKey is AWSXDNYNPUKBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.CH5N/c11-7-9-12-8-6-10-4-2-1-3-5-10;1-2/h1-5,7H,6,8-9H2;2H2,1H3.
What are the key properties of methanamine;2-(2-phenylethoxy)acetaldehyde?
methanamine;2-(2-phenylethoxy)acetaldehyde has a molecular weight of 195.26 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-(2-phenylethoxy)acetaldehyde is sourced from PubChem (CID 156720060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).