ethane;formamide;1-phenylethanamine

C11H20N2O — CID 154651145

IUPACethane;formamide;1-phenylethanamine
SMILESCC.CC(N)c1ccccc1.NC=O
InChIInChI=1S/C8H11N.C2H6.CH3NO/c1-7(9)8-5-3-2-4-6-8;1-2;2-1-3/h2-7H,9H2,1H3;1-2H3;1H,(H2,2,3)
InChIKeyZHQBRBFKUKFANW-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.83
Rot. Bonds1

About ethane;formamide;1-phenylethanamine

ethane;formamide;1-phenylethanamine (PubChem CID 154651145) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane;formamide;1-phenylethanamine.

Molecular Properties

Compound Nameethane;formamide;1-phenylethanamine
PubChem CID154651145
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Nameethane;formamide;1-phenylethanamine
SMILESCC.CC(N)c1ccccc1.NC=O
InChIInChI=1S/C8H11N.C2H6.CH3NO/c1-7(9)8-5-3-2-4-6-8;1-2;2-1-3/h2-7H,9H2,1H3;1-2H3;1H,(H2,2,3)
InChIKeyZHQBRBFKUKFANW-UHFFFAOYSA-N
XLogP1.83
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(1R)-1-phenylethanamine
CID 142977390
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
1-phenylethanamine;toluene
CID 143029898
benzene-1,2-diol;1-phenylethanamine
CID 174442381
CID 68539443
CID 68539443
methanol;molecular fluorine;1-phenylethanamine;hydrate
CID 144635435
1-phenylethanamine;N-prop-2-enylprop-2-en-1-amine
CID 174913202
1-(4-benzylphenyl)ethanamine
CID 3962419
(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 54594942
(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid
CID 118541105
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
CID 154659540
2-isocyanoacetic acid;1-phenylethanamine
CID 88788030

Frequently Asked Questions

What is the IUPAC name of ethane;formamide;1-phenylethanamine?
The IUPAC name of ethane;formamide;1-phenylethanamine (CID 154651145) is ethane;formamide;1-phenylethanamine.
What is the SMILES notation for ethane;formamide;1-phenylethanamine?
The canonical SMILES for ethane;formamide;1-phenylethanamine is CC.CC(N)c1ccccc1.NC=O.
What is the InChIKey of ethane;formamide;1-phenylethanamine?
The InChIKey is ZHQBRBFKUKFANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2H6.CH3NO/c1-7(9)8-5-3-2-4-6-8;1-2;2-1-3/h2-7H,9H2,1H3;1-2H3;1H,(H2,2,3).
What are the key properties of ethane;formamide;1-phenylethanamine?
ethane;formamide;1-phenylethanamine has a molecular weight of 196.29 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formamide;1-phenylethanamine is sourced from PubChem (CID 154651145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).