2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine

C12H18N4O — CID 126587452

IUPAC2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCN=[N+]=[N-])Cc1ccccc1
InChIInChI=1S/C12H18N4O/c1-17-10-9-16(8-7-14-15-13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeySPVZGFDWOLTCJD-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.45
Rot. Bonds8

About 2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine

2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine (PubChem CID 126587452) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine
PubChem CID126587452
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCN=[N+]=[N-])Cc1ccccc1
InChIInChI=1S/C12H18N4O/c1-17-10-9-16(8-7-14-15-13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeySPVZGFDWOLTCJD-UHFFFAOYSA-N
XLogP2.45
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine
CID 57298198
N-benzyl-2-methoxy-N-trimethylsilylethanamine
CID 68644763
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride
CID 173426677
N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide
CID 25072280
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
N-benzyl-2-methoxy-N-[[(1R,2R)-2-methylcyclopropyl]methyl]ethanamine
CID 86616987
N-benzyl-2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 47013131
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
N-[[4-(azidomethyl)phenyl]methyl]-N-methyl-1-phenylmethanamine
CID 53231791
4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol
CID 122198142
1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
CID 24713640
N-benzyl-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 60538872

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine (CID 126587452) is 2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine is COCCN(CCN=[N+]=[N-])Cc1ccccc1.
What is the InChIKey of 2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine?
The InChIKey is SPVZGFDWOLTCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-17-10-9-16(8-7-14-15-13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3.
What are the key properties of 2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine?
2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine has a molecular weight of 234.30 g/mol, XLogP of 2.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-benzyl-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 126587452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).