1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine

C10H15Cl2N3O — CID 115260966

IUPAC1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
SMILESCOc1c(Cl)cc(Cl)cc1CN(C)CNN
InChIInChI=1S/C10H15Cl2N3O/c1-15(6-14-13)5-7-3-8(11)4-9(12)10(7)16-2/h3-4,14H,5-6,13H2,1-2H3
InChIKeyMXEYEIBUXRZGMP-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.85
Rot. Bonds5

About 1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine

1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine (PubChem CID 115260966) has the molecular formula C10H15Cl2N3O and a molecular weight of 264.16 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
PubChem CID115260966
Molecular FormulaC10H15Cl2N3O
Molecular Weight264.16 g/mol
Exact Mass263.06
IUPAC Name1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
SMILESCOc1c(Cl)cc(Cl)cc1CN(C)CNN
InChIInChI=1S/C10H15Cl2N3O/c1-15(6-14-13)5-7-3-8(11)4-9(12)10(7)16-2/h3-4,14H,5-6,13H2,1-2H3
InChIKeyMXEYEIBUXRZGMP-UHFFFAOYSA-N
XLogP1.85
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.85
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

2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223085
1-(5-chloro-2-methoxy-4-methylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260949
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
1-(3,5-dichloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117344115
1-(5-chloro-2-methoxy-3-methylphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263199
2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 122036939
1,5-dichloro-3-(2-chloroethyl)-2-methoxybenzene
CID 82477195
N'-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]methanediamine
CID 115226065
1-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1-N-methylpropane-1,2-diamine
CID 115196670
1-(2-bromoethyl)-3,5-dichloro-2-methoxybenzene
CID 82489523
1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene
CID 116932155
2-(3,5-dichloro-2-methoxyphenyl)ethyl-methylcyanamide
CID 117043509

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine (CID 115260966) is 1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine is COc1c(Cl)cc(Cl)cc1CN(C)CNN.
What is the InChIKey of 1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine?
The InChIKey is MXEYEIBUXRZGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3O/c1-15(6-14-13)5-7-3-8(11)4-9(12)10(7)16-2/h3-4,14H,5-6,13H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine?
1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine has a molecular weight of 264.16 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine is sourced from PubChem (CID 115260966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).