hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine

C10H17N3O3 — CID 116947477

IUPAChydrazinyl-(2,4,6-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)NN)c(OC)c1
InChIInChI=1S/C10H17N3O3/c1-14-6-4-7(15-2)9(10(11)13-12)8(5-6)16-3/h4-5,10,13H,11-12H2,1-3H3
InChIKeyKUHZCQHZVZVJEU-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.13
Rot. Bonds5

About hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine

hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine (PubChem CID 116947477) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Namehydrazinyl-(2,4,6-trimethoxyphenyl)methanamine
PubChem CID116947477
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namehydrazinyl-(2,4,6-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)NN)c(OC)c1
InChIInChI=1S/C10H17N3O3/c1-14-6-4-7(15-2)9(10(11)13-12)8(5-6)16-3/h4-5,10,13H,11-12H2,1-3H3
InChIKeyKUHZCQHZVZVJEU-UHFFFAOYSA-N
XLogP0.13
TPSA91.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate
CID 14604184
2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile
CID 43344273
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
CID 82759020
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
(1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride
CID 171239954
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061
(1R)-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201035

Frequently Asked Questions

What is the IUPAC name of hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine?
The IUPAC name of hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine (CID 116947477) is hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine.
What is the SMILES notation for hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine?
The canonical SMILES for hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine is COc1cc(OC)c(C(N)NN)c(OC)c1.
What is the InChIKey of hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine?
The InChIKey is KUHZCQHZVZVJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-14-6-4-7(15-2)9(10(11)13-12)8(5-6)16-3/h4-5,10,13H,11-12H2,1-3H3.
What are the key properties of hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine?
hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine has a molecular weight of 227.26 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine is sourced from PubChem (CID 116947477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).