2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine

C10H13FN4 — CID 61412793

IUPAC2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCN=[N+]=[N-])Cc1ccccc1F
InChIInChI=1S/C10H13FN4/c1-15(7-6-13-14-12)8-9-4-2-3-5-10(9)11/h2-5H,6-8H2,1H3
InChIKeyKWKOZXOOVCPBJE-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.57
Rot. Bonds5

About 2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine

2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine (PubChem CID 61412793) has the molecular formula C10H13FN4 and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine
PubChem CID61412793
Molecular FormulaC10H13FN4
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(CCN=[N+]=[N-])Cc1ccccc1F
InChIInChI=1S/C10H13FN4/c1-15(7-6-13-14-12)8-9-4-2-3-5-10(9)11/h2-5H,6-8H2,1H3
InChIKeyKWKOZXOOVCPBJE-UHFFFAOYSA-N
XLogP2.57
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899
CID 167681382
CID 167681382
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76873732
1-(2-fluorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258763
N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
CID 81079897
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512
1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098522
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 78791355

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine (CID 61412793) is 2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine is CN(CCN=[N+]=[N-])Cc1ccccc1F.
What is the InChIKey of 2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine?
The InChIKey is KWKOZXOOVCPBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4/c1-15(7-6-13-14-12)8-9-4-2-3-5-10(9)11/h2-5H,6-8H2,1H3.
What are the key properties of 2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine?
2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine has a molecular weight of 208.24 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-[(2-fluorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 61412793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).