2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine

C13H14BrN3O — CID 110917511

IUPAC2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine
SMILESNC(N)=NCCOc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H14BrN3O/c14-11-3-1-10-8-12(4-2-9(10)7-11)18-6-5-17-13(15)16/h1-4,7-8H,5-6H2,(H4,15,16,17)
InChIKeyDNKSBCOKJBGHLL-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.25
Rot. Bonds4

About 2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine

2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine (PubChem CID 110917511) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine.

Molecular Properties

Compound Name2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine
PubChem CID110917511
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine
SMILESNC(N)=NCCOc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H14BrN3O/c14-11-3-1-10-8-12(4-2-9(10)7-11)18-6-5-17-13(15)16/h1-4,7-8H,5-6H2,(H4,15,16,17)
InChIKeyDNKSBCOKJBGHLL-UHFFFAOYSA-N
XLogP2.25
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide
CID 75419016
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163
2-[2-(3-chloro-4-methylphenoxy)ethyl]guanidine
CID 154150076
4-(6-bromonaphthalen-2-yl)oxy-2-methylbutan-2-ol
CID 79359399
2-[2-(4-phenylphenoxy)ethyl]guanidine
CID 95464158
methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate
CID 28879850
2-bromo-7-ethoxynaphthalene
CID 22240149
2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine
CID 62570775
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
2-[2-(4-bromophenoxy)ethyl]-1-propan-2-ylguanidine
CID 111088989
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine?
The IUPAC name of 2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine (CID 110917511) is 2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine.
What is the SMILES notation for 2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine?
The canonical SMILES for 2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine is NC(N)=NCCOc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine?
The InChIKey is DNKSBCOKJBGHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-11-3-1-10-8-12(4-2-9(10)7-11)18-6-5-17-13(15)16/h1-4,7-8H,5-6H2,(H4,15,16,17).
What are the key properties of 2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine?
2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine has a molecular weight of 308.18 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine is sourced from PubChem (CID 110917511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).