amino-[(2,4-dimethylphenyl)methyl]carbamic acid

C10H14N2O2 — CID 149436785

IUPACamino-[(2,4-dimethylphenyl)methyl]carbamic acid
SMILESCc1ccc(CN(N)C(=O)O)c(C)c1
InChIInChI=1S/C10H14N2O2/c1-7-3-4-9(8(2)5-7)6-12(11)10(13)14/h3-5H,6,11H2,1-2H3,(H,13,14)
InChIKeyCVLFSXKSQOMILW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.66
Rot. Bonds2

About amino-[(2,4-dimethylphenyl)methyl]carbamic acid

amino-[(2,4-dimethylphenyl)methyl]carbamic acid (PubChem CID 149436785) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is amino-[(2,4-dimethylphenyl)methyl]carbamic acid.

Molecular Properties

Compound Nameamino-[(2,4-dimethylphenyl)methyl]carbamic acid
PubChem CID149436785
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameamino-[(2,4-dimethylphenyl)methyl]carbamic acid
SMILESCc1ccc(CN(N)C(=O)O)c(C)c1
InChIInChI=1S/C10H14N2O2/c1-7-3-4-9(8(2)5-7)6-12(11)10(13)14/h3-5H,6,11H2,1-2H3,(H,13,14)
InChIKeyCVLFSXKSQOMILW-UHFFFAOYSA-N
XLogP1.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-[(4-methylphenyl)methyl]carbamic acid
CID 68916072
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
5-[(2,4-dimethylphenyl)methyl-methylamino]pentanoic acid
CID 115219079
ethyl 2-[(2,4-dimethylphenyl)methyl-methylamino]acetate
CID 115257415
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
(E)-4-[(2,4-dimethylphenyl)methyl-methylamino]but-2-enoic acid
CID 115237184
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
(2S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 61163337
2-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutanoic acid
CID 115250371
2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid
CID 107426131
4-[(2,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylbutanoic acid
CID 115221163
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140

Frequently Asked Questions

What is the IUPAC name of amino-[(2,4-dimethylphenyl)methyl]carbamic acid?
The IUPAC name of amino-[(2,4-dimethylphenyl)methyl]carbamic acid (CID 149436785) is amino-[(2,4-dimethylphenyl)methyl]carbamic acid.
What is the SMILES notation for amino-[(2,4-dimethylphenyl)methyl]carbamic acid?
The canonical SMILES for amino-[(2,4-dimethylphenyl)methyl]carbamic acid is Cc1ccc(CN(N)C(=O)O)c(C)c1.
What is the InChIKey of amino-[(2,4-dimethylphenyl)methyl]carbamic acid?
The InChIKey is CVLFSXKSQOMILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-3-4-9(8(2)5-7)6-12(11)10(13)14/h3-5H,6,11H2,1-2H3,(H,13,14).
What are the key properties of amino-[(2,4-dimethylphenyl)methyl]carbamic acid?
amino-[(2,4-dimethylphenyl)methyl]carbamic acid has a molecular weight of 194.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(2,4-dimethylphenyl)methyl]carbamic acid is sourced from PubChem (CID 149436785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).