2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane

C11H16N2O2 — CID 143489753

IUPAC2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane
SMILESCC.[H]/N=C(\C(=O)O)c1cc(C)ccc1N
InChIInChI=1S/C9H10N2O2.C2H6/c1-5-2-3-7(10)6(4-5)8(11)9(12)13;1-2/h2-4,11H,10H2,1H3,(H,12,13);1-2H3/b11-8-;
InChIKeyFKCXPFHYBJZQLQ-MKFZHGHUSA-N
MW208.26 g/mol
LogP2.06
Rot. Bonds2

About 2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane

2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane (PubChem CID 143489753) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane
PubChem CID143489753
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane
SMILESCC.[H]/N=C(\C(=O)O)c1cc(C)ccc1N
InChIInChI=1S/C9H10N2O2.C2H6/c1-5-2-3-7(10)6(4-5)8(11)9(12)13;1-2/h2-4,11H,10H2,1H3,(H,12,13);1-2H3/b11-8-;
InChIKeyFKCXPFHYBJZQLQ-MKFZHGHUSA-N
XLogP2.06
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methylbenzenecarboximidoyl chloride;ethane
CID 176988809
4-methyl-2-propanimidoylaniline;molecular hydrogen
CID 176988510
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
ethyl 2-(2-amino-5-bromophenyl)-2-iminoacetate
CID 142835798
1-(2-amino-5-methylphenyl)prop-2-yn-1-one
CID 116581366
iodo 2-amino-5-methylbenzoate
CID 174945201
methyl 2-(2-amino-5-methoxyphenyl)-2-iminoacetate
CID 170602546
2-amino-N-methoxy-5-methylbenzamide
CID 64974828
(2-amino-5-methylphenyl)-(3-amino-1,2,4-triazol-1-yl)methanone
CID 110485968
(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 116581480
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 65455690

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane?
The IUPAC name of 2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane (CID 143489753) is 2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane?
The canonical SMILES for 2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane is CC.[H]/N=C(\C(=O)O)c1cc(C)ccc1N.
What is the InChIKey of 2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane?
The InChIKey is FKCXPFHYBJZQLQ-MKFZHGHUSA-N. The full InChI is InChI=1S/C9H10N2O2.C2H6/c1-5-2-3-7(10)6(4-5)8(11)9(12)13;1-2/h2-4,11H,10H2,1H3,(H,12,13);1-2H3/b11-8-;.
What are the key properties of 2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane?
2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane has a molecular weight of 208.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)-2-iminoacetic acid;ethane is sourced from PubChem (CID 143489753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).