N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine

C11H19N3O — CID 115261072

IUPACN-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CCNCNN
InChIInChI=1S/C11H19N3O/c1-9-3-4-11(15-2)10(7-9)5-6-13-8-14-12/h3-4,7,13-14H,5-6,8,12H2,1-2H3
InChIKeyRPBZJHFDQRVGDM-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.56
Rot. Bonds6

About N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine

N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 115261072) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID115261072
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1CCNCNN
InChIInChI=1S/C11H19N3O/c1-9-3-4-11(15-2)10(7-9)5-6-13-8-14-12/h3-4,7,13-14H,5-6,8,12H2,1-2H3
InChIKeyRPBZJHFDQRVGDM-UHFFFAOYSA-N
XLogP0.56
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

2-[2-(2-methoxy-5-methylphenyl)ethylamino]ethanethiol
CID 115224182
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200149
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
methyl 3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoate
CID 115232481
2-amino-3-[2-(2-methoxy-5-methylphenyl)ethylamino]propanoic acid
CID 115240818
2-(2-methoxy-5-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 8851253
N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227132
N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227129
trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 33033808
3-hydroxy-4-[2-(2-methoxy-5-methylphenyl)ethylamino]butanoic acid
CID 115123097
2-(4-aminophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide;hydrochloride
CID 119693030

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine (CID 115261072) is N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1CCNCNN.
What is the InChIKey of N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is RPBZJHFDQRVGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-3-4-11(15-2)10(7-9)5-6-13-8-14-12/h3-4,7,13-14H,5-6,8,12H2,1-2H3.
What are the key properties of N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine?
N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 115261072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).