carbon dioxide;1-(3-iodophenyl)propan-1-amine

C10H12INO2 — CID 161357167

IUPACcarbon dioxide;1-(3-iodophenyl)propan-1-amine
SMILESCCC(N)c1cccc(I)c1.O=C=O
InChIInChI=1S/C9H12IN.CO2/c1-2-9(11)7-4-3-5-8(10)6-7;2-1-3/h3-6,9H,2,11H2,1H3;
InChIKeyVORSKVWMIFOWLG-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.12
Rot. Bonds2

About carbon dioxide;1-(3-iodophenyl)propan-1-amine

carbon dioxide;1-(3-iodophenyl)propan-1-amine (PubChem CID 161357167) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is carbon dioxide;1-(3-iodophenyl)propan-1-amine.

Molecular Properties

Compound Namecarbon dioxide;1-(3-iodophenyl)propan-1-amine
PubChem CID161357167
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Namecarbon dioxide;1-(3-iodophenyl)propan-1-amine
SMILESCCC(N)c1cccc(I)c1.O=C=O
InChIInChI=1S/C9H12IN.CO2/c1-2-9(11)7-4-3-5-8(10)6-7;2-1-3/h3-6,9H,2,11H2,1H3;
InChIKeyVORSKVWMIFOWLG-UHFFFAOYSA-N
XLogP2.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-1-(3-iodophenyl)ethanamine
CID 105007873
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
CID 133268753
(1S)-1-(3-iodophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171230181
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride
CID 171210552
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
diethyl 2-(3-iodophenyl)propanedioate
CID 135193492
ethyl (3S)-3-amino-2-fluoro-3-(3-iodophenyl)propanoate
CID 171249950
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215
1-(3-iodophenyl)-4-phenylbutan-1-amine
CID 115849348

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-(3-iodophenyl)propan-1-amine?
The IUPAC name of carbon dioxide;1-(3-iodophenyl)propan-1-amine (CID 161357167) is carbon dioxide;1-(3-iodophenyl)propan-1-amine.
What is the SMILES notation for carbon dioxide;1-(3-iodophenyl)propan-1-amine?
The canonical SMILES for carbon dioxide;1-(3-iodophenyl)propan-1-amine is CCC(N)c1cccc(I)c1.O=C=O.
What is the InChIKey of carbon dioxide;1-(3-iodophenyl)propan-1-amine?
The InChIKey is VORSKVWMIFOWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN.CO2/c1-2-9(11)7-4-3-5-8(10)6-7;2-1-3/h3-6,9H,2,11H2,1H3;.
What are the key properties of carbon dioxide;1-(3-iodophenyl)propan-1-amine?
carbon dioxide;1-(3-iodophenyl)propan-1-amine has a molecular weight of 305.12 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-(3-iodophenyl)propan-1-amine is sourced from PubChem (CID 161357167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).