carbon dioxide;N-methyl-1-phenylethanamine

C10H13NO2 — CID 91452394

IUPACcarbon dioxide;N-methyl-1-phenylethanamine
SMILESCNC(C)c1ccccc1.O=C=O
InChIInChI=1S/C9H13N.CO2/c1-8(10-2)9-6-4-3-5-7-9;2-1-3/h3-8,10H,1-2H3;
InChIKeyYGQDGLWJLWYCIM-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.38
Rot. Bonds2

About carbon dioxide;N-methyl-1-phenylethanamine

carbon dioxide;N-methyl-1-phenylethanamine (PubChem CID 91452394) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is carbon dioxide;N-methyl-1-phenylethanamine.

Molecular Properties

Compound Namecarbon dioxide;N-methyl-1-phenylethanamine
PubChem CID91452394
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namecarbon dioxide;N-methyl-1-phenylethanamine
SMILESCNC(C)c1ccccc1.O=C=O
InChIInChI=1S/C9H13N.CO2/c1-8(10-2)9-6-4-3-5-7-9;2-1-3/h3-8,10H,1-2H3;
InChIKeyYGQDGLWJLWYCIM-UHFFFAOYSA-N
XLogP1.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-methyl-1-phenylethanamine
CID 91444453
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
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CID 63870086
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
4-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276325
2-(methylamino)-2-phenyl-N-(1-phenylethyl)acetamide
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N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
ethane;N-methyl-1-phenylethanamine;N-methyl-2-phenylethanamine;N-methyl-1-phenylmethanamine
CID 168903163
isocyanic acid;1-phenylethylbenzene
CID 172750897
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-methyl-1-phenylethanamine?
The IUPAC name of carbon dioxide;N-methyl-1-phenylethanamine (CID 91452394) is carbon dioxide;N-methyl-1-phenylethanamine.
What is the SMILES notation for carbon dioxide;N-methyl-1-phenylethanamine?
The canonical SMILES for carbon dioxide;N-methyl-1-phenylethanamine is CNC(C)c1ccccc1.O=C=O.
What is the InChIKey of carbon dioxide;N-methyl-1-phenylethanamine?
The InChIKey is YGQDGLWJLWYCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.CO2/c1-8(10-2)9-6-4-3-5-7-9;2-1-3/h3-8,10H,1-2H3;.
What are the key properties of carbon dioxide;N-methyl-1-phenylethanamine?
carbon dioxide;N-methyl-1-phenylethanamine has a molecular weight of 179.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-methyl-1-phenylethanamine is sourced from PubChem (CID 91452394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).