carbon dioxide;phenylmethanamine

C8H9NO2 — CID 123245363

IUPACcarbon dioxide;phenylmethanamine
SMILESNCc1ccccc1.O=C=O
InChIInChI=1S/C7H9N.CO2/c8-6-7-4-2-1-3-5-7;2-1-3/h1-5H,6,8H2;
InChIKeyYLYHFEVXCMGKSY-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.56
Rot. Bonds1

About carbon dioxide;phenylmethanamine

carbon dioxide;phenylmethanamine (PubChem CID 123245363) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is carbon dioxide;phenylmethanamine.

Molecular Properties

Compound Namecarbon dioxide;phenylmethanamine
PubChem CID123245363
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namecarbon dioxide;phenylmethanamine
SMILESNCc1ccccc1.O=C=O
InChIInChI=1S/C7H9N.CO2/c8-6-7-4-2-1-3-5-7;2-1-3/h1-5H,6,8H2;
InChIKeyYLYHFEVXCMGKSY-UHFFFAOYSA-N
XLogP0.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenylmethanamine
CID 19864074
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;titanium(2+)
CID 21287655
phenylmethanamine;dodecahydrobromide
CID 175510511
sodium phenylmethanamine
CID 172793696
2,2-dimethylpropane;phenylmethanamine
CID 158787980
CID 174688914
CID 174688914
ethane;phenylmethanamine;vanadium
CID 158602574
oxygen(2-);phenylmethanamine;vanadium;hydroxide
CID 11715324
difluoromethane;phenylmethanamine
CID 156875485
dibromolead;phenylmethanamine
CID 175060358
formaldehyde;phenylmethanamine;phosphorous acid
CID 161481054

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;phenylmethanamine?
The IUPAC name of carbon dioxide;phenylmethanamine (CID 123245363) is carbon dioxide;phenylmethanamine.
What is the SMILES notation for carbon dioxide;phenylmethanamine?
The canonical SMILES for carbon dioxide;phenylmethanamine is NCc1ccccc1.O=C=O.
What is the InChIKey of carbon dioxide;phenylmethanamine?
The InChIKey is YLYHFEVXCMGKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.CO2/c8-6-7-4-2-1-3-5-7;2-1-3/h1-5H,6,8H2;.
What are the key properties of carbon dioxide;phenylmethanamine?
carbon dioxide;phenylmethanamine has a molecular weight of 151.16 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;phenylmethanamine is sourced from PubChem (CID 123245363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).