N-(5-amino-2-methylphenyl)-N-formylformamide

C9H10N2O2 — CID 57351652

IUPACN-(5-amino-2-methylphenyl)-N-formylformamide
SMILESCc1ccc(N)cc1N(C=O)C=O
InChIInChI=1S/C9H10N2O2/c1-7-2-3-8(10)4-9(7)11(5-12)6-13/h2-6H,10H2,1H3
InChIKeyVMAGOFMGUBIOEW-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.70
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-N-formylformamide

N-(5-amino-2-methylphenyl)-N-formylformamide (PubChem CID 57351652) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-N-formylformamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-N-formylformamide
PubChem CID57351652
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-(5-amino-2-methylphenyl)-N-formylformamide
SMILESCc1ccc(N)cc1N(C=O)C=O
InChIInChI=1S/C9H10N2O2/c1-7-2-3-8(10)4-9(7)11(5-12)6-13/h2-6H,10H2,1H3
InChIKeyVMAGOFMGUBIOEW-UHFFFAOYSA-N
XLogP0.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 838511
N-(4-amino-2-methylphenyl)-N-formylformamide;N-(4-amino-2-methylphenyl)-N-methylformamide;1-N,1-N,2-trimethylbenzene-1,4-diamine
CID 143548493
3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine
CID 130512909
3-ethyl-4-methylaniline;hydrochloride
CID 23499109
4-methyl-3-N,3-N-bis(3-methylbutyl)benzene-1,3-diamine
CID 107869155
4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
CID 62590529
4-methylbenzene-1,3-diamine
CID 159171817
4-methyl-3-methylsulfinylaniline
CID 79006286
3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 55091797
2-(5-amino-N,2-dimethylanilino)propan-1-ol
CID 104551168
(5-amino-2-methylphenyl)methyl-carboxycarbamic acid
CID 18622164
2-[4-amino-2-(dimethylamino)phenyl]acetaldehyde
CID 170754741

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-N-formylformamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-N-formylformamide (CID 57351652) is N-(5-amino-2-methylphenyl)-N-formylformamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-N-formylformamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-N-formylformamide is Cc1ccc(N)cc1N(C=O)C=O.
What is the InChIKey of N-(5-amino-2-methylphenyl)-N-formylformamide?
The InChIKey is VMAGOFMGUBIOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7-2-3-8(10)4-9(7)11(5-12)6-13/h2-6H,10H2,1H3.
What are the key properties of N-(5-amino-2-methylphenyl)-N-formylformamide?
N-(5-amino-2-methylphenyl)-N-formylformamide has a molecular weight of 178.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-N-formylformamide is sourced from PubChem (CID 57351652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).