N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine

C11H15ClN4 — CID 62983621

IUPACN-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)CCN=[N+]=[N-]
InChIInChI=1S/C11H15ClN4/c1-9(16(2)8-7-14-15-13)10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3
InChIKeyHAVQCORFWRWJSP-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.64
Rot. Bonds5

About N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine

N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine (PubChem CID 62983621) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine
PubChem CID62983621
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC NameN-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine
SMILESCC(c1ccccc1Cl)N(C)CCN=[N+]=[N-]
InChIInChI=1S/C11H15ClN4/c1-9(16(2)8-7-14-15-13)10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3
InChIKeyHAVQCORFWRWJSP-UHFFFAOYSA-N
XLogP3.64
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.64
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

N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904
N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 62985212
N'-[1-(2-chlorophenyl)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62985277
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
2-azido-1-(2-chlorophenyl)ethanol
CID 86674103
1-N-[1-(2-chlorophenyl)ethyl]-1-N,2-dimethylbutane-1,3-diamine
CID 113416108
N'-[1-(2-chlorophenyl)ethyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106708082
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide
CID 60505511

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine?
The IUPAC name of N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine (CID 62983621) is N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine?
The canonical SMILES for N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine is CC(c1ccccc1Cl)N(C)CCN=[N+]=[N-].
What is the InChIKey of N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine?
The InChIKey is HAVQCORFWRWJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-9(16(2)8-7-14-15-13)10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine?
N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine has a molecular weight of 238.72 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-1-(2-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 62983621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).