methane;4-(methylaminomethyl)benzoic acid

C10H15NO2 — CID 159753139

IUPACmethane;4-(methylaminomethyl)benzoic acid
SMILESC.CNCc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11NO2.CH4/c1-10-6-7-2-4-8(5-3-7)9(11)12;/h2-5,10H,6H2,1H3,(H,11,12);1H4
InChIKeyNDXGFYHRQRJXOR-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.74
Rot. Bonds3

About methane;4-(methylaminomethyl)benzoic acid

methane;4-(methylaminomethyl)benzoic acid (PubChem CID 159753139) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methane;4-(methylaminomethyl)benzoic acid.

Molecular Properties

Compound Namemethane;4-(methylaminomethyl)benzoic acid
PubChem CID159753139
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethane;4-(methylaminomethyl)benzoic acid
SMILESC.CNCc1ccc(C(=O)O)cc1
InChIInChI=1S/C9H11NO2.CH4/c1-10-6-7-2-4-8(5-3-7)9(11)12;/h2-5,10H,6H2,1H3,(H,11,12);1H4
InChIKeyNDXGFYHRQRJXOR-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze methane;4-(methylaminomethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(methylamino)propylamino]methyl]benzoic acid;dihydrochloride
CID 17159605
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
4-[(2-phosphonoethylamino)methyl]benzoic acid
CID 154020772
4-[2-(methylamino)-2-oxoethyl]benzoic acid
CID 139022603
4-[[(4-ethylphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 2988484
3-[4-(methylaminomethyl)phenyl]propanoic acid
CID 138583919
4-[(pentan-3-ylamino)methyl]benzoic acid
CID 62216407
4-[[[2-(methylamino)-2-oxoethyl]carbamoylamino]methyl]benzoic acid
CID 61198185
4-[[[4-(aminomethyl)phenyl]methylamino]methyl]benzoic acid
CID 168845586
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
N-(2-hydroxyethyl)-4-(methylaminomethyl)benzamide
CID 70891086
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzoic acid;hydrochloride
CID 17157155

Frequently Asked Questions

What is the IUPAC name of methane;4-(methylaminomethyl)benzoic acid?
The IUPAC name of methane;4-(methylaminomethyl)benzoic acid (CID 159753139) is methane;4-(methylaminomethyl)benzoic acid.
What is the SMILES notation for methane;4-(methylaminomethyl)benzoic acid?
The canonical SMILES for methane;4-(methylaminomethyl)benzoic acid is C.CNCc1ccc(C(=O)O)cc1.
What is the InChIKey of methane;4-(methylaminomethyl)benzoic acid?
The InChIKey is NDXGFYHRQRJXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.CH4/c1-10-6-7-2-4-8(5-3-7)9(11)12;/h2-5,10H,6H2,1H3,(H,11,12);1H4.
What are the key properties of methane;4-(methylaminomethyl)benzoic acid?
methane;4-(methylaminomethyl)benzoic acid has a molecular weight of 181.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-(methylaminomethyl)benzoic acid is sourced from PubChem (CID 159753139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).