N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine

C14H25N3O — CID 115261451

IUPACN-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(C(C)(C)CNCNN)c(C)c1C
InChIInChI=1S/C14H25N3O/c1-10-11(2)13(18-5)7-6-12(10)14(3,4)8-16-9-17-15/h6-7,16-17H,8-9,15H2,1-5H3
InChIKeyQMZSBJYDKMIFFA-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.60
Rot. Bonds6

About N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine

N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine (PubChem CID 115261451) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine
PubChem CID115261451
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine
SMILESCOc1ccc(C(C)(C)CNCNN)c(C)c1C
InChIInChI=1S/C14H25N3O/c1-10-11(2)13(18-5)7-6-12(10)14(3,4)8-16-9-17-15/h6-7,16-17H,8-9,15H2,1-5H3
InChIKeyQMZSBJYDKMIFFA-UHFFFAOYSA-N
XLogP1.60
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.60
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

N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide
CID 115166846
2-(2,4-dimethoxy-3-methylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259192
N-(bromomethyl)-2-(2,4-dimethoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 115262577
2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261404
1-(1,1-difluoropropyl)-4-methoxy-2,3-dimethylbenzene
CID 116841280
3-amino-3-(4-methoxy-2,3-dimethylphenyl)butanoic acid
CID 82291925
N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 115262514
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropyl]methanediamine
CID 115226397
N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199816
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136375
[[2-methyl-2-(2,3,4-trimethylphenyl)propyl]amino]methanethiol
CID 115228629
1-amino-3-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]urea
CID 115193138

Frequently Asked Questions

What is the IUPAC name of N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine?
The IUPAC name of N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine (CID 115261451) is N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine is COc1ccc(C(C)(C)CNCNN)c(C)c1C.
What is the InChIKey of N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine?
The InChIKey is QMZSBJYDKMIFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10-11(2)13(18-5)7-6-12(10)14(3,4)8-16-9-17-15/h6-7,16-17H,8-9,15H2,1-5H3.
What are the key properties of N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine?
N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydrazinylmethyl)-2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115261451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).