1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine

C12H21N3O — CID 115260951

IUPAC1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
SMILESCCOc1ccc(CN(C)CNN)cc1C
InChIInChI=1S/C12H21N3O/c1-4-16-12-6-5-11(7-10(12)2)8-15(3)9-14-13/h5-7,14H,4,8-9,13H2,1-3H3
InChIKeyUYILHWCLODNHRP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds6

About 1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine

1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine (PubChem CID 115260951) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
PubChem CID115260951
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
SMILESCCOc1ccc(CN(C)CNN)cc1C
InChIInChI=1S/C12H21N3O/c1-4-16-12-6-5-11(7-10(12)2)8-15(3)9-14-13/h5-7,14H,4,8-9,13H2,1-3H3
InChIKeyUYILHWCLODNHRP-UHFFFAOYSA-N
XLogP1.25
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
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

N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98783803
4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
CID 115260617
3-[(4-ethoxy-3-methylphenyl)methyl-methylamino]propane-1-thiol
CID 115225008
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyloxamide
CID 115191970
2-(4-ethoxy-3-methylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259024
N-[(4-ethoxy-3-methylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139170
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 115153737
4-[2-(4-ethoxy-3-methylphenyl)ethyl-methylamino]butan-2-one
CID 115236050
N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
CID 115195419
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
4-(4-ethoxy-3-methylphenyl)-2-methylbutan-2-amine
CID 96659154

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine (CID 115260951) is 1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine is CCOc1ccc(CN(C)CNN)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine?
The InChIKey is UYILHWCLODNHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-16-12-6-5-11(7-10(12)2)8-15(3)9-14-13/h5-7,14H,4,8-9,13H2,1-3H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine?
1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine is sourced from PubChem (CID 115260951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).