methanamine;methyl 3-amino-4-methylbenzoate

C10H16N2O2 — CID 164531340

IUPACmethanamine;methyl 3-amino-4-methylbenzoate
SMILESCN.COC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C9H11NO2.CH5N/c1-6-3-4-7(5-8(6)10)9(11)12-2;1-2/h3-5H,10H2,1-2H3;2H2,1H3
InChIKeyVPTJQQZSVRQJDJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.94
Rot. Bonds1

About methanamine;methyl 3-amino-4-methylbenzoate

methanamine;methyl 3-amino-4-methylbenzoate (PubChem CID 164531340) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methanamine;methyl 3-amino-4-methylbenzoate.

Molecular Properties

Compound Namemethanamine;methyl 3-amino-4-methylbenzoate
PubChem CID164531340
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethanamine;methyl 3-amino-4-methylbenzoate
SMILESCN.COC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C9H11NO2.CH5N/c1-6-3-4-7(5-8(6)10)9(11)12-2;1-2/h3-5H,10H2,1-2H3;2H2,1H3
InChIKeyVPTJQQZSVRQJDJ-UHFFFAOYSA-N
XLogP0.94
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 3-amino-4-methylbenzoate
CID 142981906
methyl 3-[(3-amino-4-methylbenzoyl)amino]-4-chlorobenzoate
CID 28723647
(2,4,6-trimethylphenyl)methyl 3-amino-4-methylbenzoate
CID 63450626
methyl 3-amino-4-(2,5-dimethylanilino)benzoate
CID 61307779
methyl 3-amino-4-hydrazinylbenzoate
CID 22411187
methyl 3-amino-4-[2-(2-amino-4-methoxycarbonylphenyl)ethenyl]benzoate
CID 91202728
methyl 3-amino-4-(methanesulfonamido)benzoate
CID 163342868
methyl 4-amino-3-methoxybenzoate
CID 602411
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289524
methyl 3-amino-4-methylsulfonylbenzoate
CID 19096023
3-amino-N-methoxy-N,4-dimethylbenzamide
CID 43627456
[2-oxo-2-(propan-2-ylamino)ethyl] 3-amino-4-methylbenzoate
CID 60665621

Frequently Asked Questions

What is the IUPAC name of methanamine;methyl 3-amino-4-methylbenzoate?
The IUPAC name of methanamine;methyl 3-amino-4-methylbenzoate (CID 164531340) is methanamine;methyl 3-amino-4-methylbenzoate.
What is the SMILES notation for methanamine;methyl 3-amino-4-methylbenzoate?
The canonical SMILES for methanamine;methyl 3-amino-4-methylbenzoate is CN.COC(=O)c1ccc(C)c(N)c1.
What is the InChIKey of methanamine;methyl 3-amino-4-methylbenzoate?
The InChIKey is VPTJQQZSVRQJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.CH5N/c1-6-3-4-7(5-8(6)10)9(11)12-2;1-2/h3-5H,10H2,1-2H3;2H2,1H3.
What are the key properties of methanamine;methyl 3-amino-4-methylbenzoate?
methanamine;methyl 3-amino-4-methylbenzoate has a molecular weight of 196.25 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methyl 3-amino-4-methylbenzoate is sourced from PubChem (CID 164531340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).