ethane;N-(4-hydroxyphenyl)formamide;methanamine

C10H18N2O2 — CID 145229488

IUPACethane;N-(4-hydroxyphenyl)formamide;methanamine
SMILESCC.CN.O=CNc1ccc(O)cc1
InChIInChI=1S/C7H7NO2.C2H6.CH5N/c9-5-8-6-1-3-7(10)4-2-6;2*1-2/h1-5,10H,(H,8,9);1-2H3;2H2,1H3
InChIKeyMKXAECCUXBUUBE-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.56
Rot. Bonds2

About ethane;N-(4-hydroxyphenyl)formamide;methanamine

ethane;N-(4-hydroxyphenyl)formamide;methanamine (PubChem CID 145229488) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethane;N-(4-hydroxyphenyl)formamide;methanamine.

Molecular Properties

Compound Nameethane;N-(4-hydroxyphenyl)formamide;methanamine
PubChem CID145229488
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethane;N-(4-hydroxyphenyl)formamide;methanamine
SMILESCC.CN.O=CNc1ccc(O)cc1
InChIInChI=1S/C7H7NO2.C2H6.CH5N/c9-5-8-6-1-3-7(10)4-2-6;2*1-2/h1-5,10H,(H,8,9);1-2H3;2H2,1H3
InChIKeyMKXAECCUXBUUBE-UHFFFAOYSA-N
XLogP1.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+)
CID 141004721
ethane;N-(4-methylphenyl)formamide
CID 142066401
ethane;N-(4-ethenylphenyl)formamide
CID 143911440
N-[4-(4-methylphenyl)phenyl]formamide
CID 87370886
N-(4-formylphenyl)formamide
CID 15314216
methyl 2-(4-formamidophenyl)propanoate
CID 11356229
N-(4-formamidophenyl)-2,2-dimethylpropanamide
CID 64992582
N-(4-bromophenyl)formamide;methane
CID 163289567
N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide
CID 22490733
N-[4-(1-aminopropan-2-yl)phenyl]formamide
CID 178094530
N-[4-[formyl(methyl)amino]phenyl]formamide
CID 122630608
ethane;methylcyclobutane;N-(4-methylphenyl)formamide
CID 143234755

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-hydroxyphenyl)formamide;methanamine?
The IUPAC name of ethane;N-(4-hydroxyphenyl)formamide;methanamine (CID 145229488) is ethane;N-(4-hydroxyphenyl)formamide;methanamine.
What is the SMILES notation for ethane;N-(4-hydroxyphenyl)formamide;methanamine?
The canonical SMILES for ethane;N-(4-hydroxyphenyl)formamide;methanamine is CC.CN.O=CNc1ccc(O)cc1.
What is the InChIKey of ethane;N-(4-hydroxyphenyl)formamide;methanamine?
The InChIKey is MKXAECCUXBUUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C2H6.CH5N/c9-5-8-6-1-3-7(10)4-2-6;2*1-2/h1-5,10H,(H,8,9);1-2H3;2H2,1H3.
What are the key properties of ethane;N-(4-hydroxyphenyl)formamide;methanamine?
ethane;N-(4-hydroxyphenyl)formamide;methanamine has a molecular weight of 198.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-hydroxyphenyl)formamide;methanamine is sourced from PubChem (CID 145229488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).