hydrazinyl-(3-methoxyphenyl)methanamine

C8H13N3O — CID 116947521

IUPAChydrazinyl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)NN)c1
InChIInChI=1S/C8H13N3O/c1-12-7-4-2-3-6(5-7)8(9)11-10/h2-5,8,11H,9-10H2,1H3
InChIKeyDWRMGMOMWULCMG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.12
Rot. Bonds3

About hydrazinyl-(3-methoxyphenyl)methanamine

hydrazinyl-(3-methoxyphenyl)methanamine (PubChem CID 116947521) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is hydrazinyl-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Namehydrazinyl-(3-methoxyphenyl)methanamine
PubChem CID116947521
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Namehydrazinyl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)NN)c1
InChIInChI=1S/C8H13N3O/c1-12-7-4-2-3-6(5-7)8(9)11-10/h2-5,8,11H,9-10H2,1H3
InChIKeyDWRMGMOMWULCMG-UHFFFAOYSA-N
XLogP0.12
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

[(3-methoxyphenyl)-phenylmethyl]hydrazine
CID 105191567
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115785901
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
(1R)-1-(3-methoxyphenyl)prop-2-en-1-amine
CID 55278128
2-amino-2-(3-methoxyphenyl)acetonitrile
CID 13352448
3-hydrazinyl-3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 105259246
[2-cyclopropyl-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191557
[(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283642

Frequently Asked Questions

What is the IUPAC name of hydrazinyl-(3-methoxyphenyl)methanamine?
The IUPAC name of hydrazinyl-(3-methoxyphenyl)methanamine (CID 116947521) is hydrazinyl-(3-methoxyphenyl)methanamine.
What is the SMILES notation for hydrazinyl-(3-methoxyphenyl)methanamine?
The canonical SMILES for hydrazinyl-(3-methoxyphenyl)methanamine is COc1cccc(C(N)NN)c1.
What is the InChIKey of hydrazinyl-(3-methoxyphenyl)methanamine?
The InChIKey is DWRMGMOMWULCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-12-7-4-2-3-6(5-7)8(9)11-10/h2-5,8,11H,9-10H2,1H3.
What are the key properties of hydrazinyl-(3-methoxyphenyl)methanamine?
hydrazinyl-(3-methoxyphenyl)methanamine has a molecular weight of 167.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 116947521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).