(5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine

C9H14ClN3O — CID 116947459

IUPAC(5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine
SMILESCOc1c(C)cc(Cl)cc1C(N)NN
InChIInChI=1S/C9H14ClN3O/c1-5-3-6(10)4-7(8(5)14-2)9(11)13-12/h3-4,9,13H,11-12H2,1-2H3
InChIKeyGOTDFKXSSFAXIC-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.08
Rot. Bonds3

About (5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine

(5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine (PubChem CID 116947459) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is (5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine.

Molecular Properties

Compound Name(5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine
PubChem CID116947459
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name(5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine
SMILESCOc1c(C)cc(Cl)cc1C(N)NN
InChIInChI=1S/C9H14ClN3O/c1-5-3-6(10)4-7(8(5)14-2)9(11)13-12/h3-4,9,13H,11-12H2,1-2H3
InChIKeyGOTDFKXSSFAXIC-UHFFFAOYSA-N
XLogP1.08
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.08
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

amino-(5-chloro-2-methoxy-3-methylphenyl)methanethiol
CID 116939486
2-amino-2-(5-chloro-2-methoxy-3-methylphenyl)acetohydrazide
CID 116848462
2-amino-2-(5-chloro-3-methyl-2-propan-2-yloxyphenyl)ethanol
CID 83899736
1-hydrazinyl-1-(2-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961759
3-(5-chloro-2-methoxy-3-methylphenyl)butanoic acid
CID 82293511
5-chloro-N-(chloromethyl)-2-methoxy-3-methylaniline
CID 115262707
2-[(5-chloro-2-methoxy-3-methylphenyl)-(methylamino)methyl]butanenitrile
CID 116960565
(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
CID 66517963
(E)-4-(5-chloro-2-methoxy-3-methylphenyl)-4-(methylamino)but-2-enoic acid
CID 116956330
2-amino-2-(3,5-dichloro-2-methoxyphenyl)ethanethiol
CID 116830511
(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine
CID 81471992
5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine
CID 116925047

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine?
The IUPAC name of (5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine (CID 116947459) is (5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine.
What is the SMILES notation for (5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine?
The canonical SMILES for (5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine is COc1c(C)cc(Cl)cc1C(N)NN.
What is the InChIKey of (5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine?
The InChIKey is GOTDFKXSSFAXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-5-3-6(10)4-7(8(5)14-2)9(11)13-12/h3-4,9,13H,11-12H2,1-2H3.
What are the key properties of (5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine?
(5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine has a molecular weight of 215.68 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxy-3-methylphenyl)-hydrazinylmethanamine is sourced from PubChem (CID 116947459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).