N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine

C14H25N3O — CID 115261259

IUPACN-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
SMILESCOc1ccc(C(C)C)cc1CCN(C)CNN
InChIInChI=1S/C14H25N3O/c1-11(2)12-5-6-14(18-4)13(9-12)7-8-17(3)10-16-15/h5-6,9,11,16H,7-8,10,15H2,1-4H3
InChIKeyYIAFEHQXQLFPCV-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.71
Rot. Bonds7

About N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine

N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine (PubChem CID 115261259) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
PubChem CID115261259
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
SMILESCOc1ccc(C(C)C)cc1CCN(C)CNN
InChIInChI=1S/C14H25N3O/c1-11(2)12-5-6-14(18-4)13(9-12)7-8-17(3)10-16-15/h5-6,9,11,16H,7-8,10,15H2,1-4H3
InChIKeyYIAFEHQXQLFPCV-UHFFFAOYSA-N
XLogP1.71
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.71
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-(bromomethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 115262362
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115261266
2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide
CID 117043469
2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261302
N-(bromomethyl)-2-(2-methoxy-4-propan-2-ylphenyl)-N-methylethanamine
CID 115262400
N-(2-chloroethyl)-2-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 94272315
2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261243
1-(2-methoxy-5-propan-2-ylphenyl)-N,2-dimethylpropan-2-amine
CID 94686610
1-[2-(2-methoxy-4-propan-2-ylphenyl)ethyl-methylamino]propan-2-one
CID 115235168
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
CID 82354174
methyl 5-(2-methoxy-5-propan-2-ylphenyl)-3-oxopentanoate
CID 54410073

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine?
The IUPAC name of N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine (CID 115261259) is N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine.
What is the SMILES notation for N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine?
The canonical SMILES for N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine is COc1ccc(C(C)C)cc1CCN(C)CNN.
What is the InChIKey of N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine?
The InChIKey is YIAFEHQXQLFPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)12-5-6-14(18-4)13(9-12)7-8-17(3)10-16-15/h5-6,9,11,16H,7-8,10,15H2,1-4H3.
What are the key properties of N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine?
N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine has a molecular weight of 251.37 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine is sourced from PubChem (CID 115261259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).