1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride

C11H17ClINO2 — CID 90010871

IUPAC1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride
SMILESCON(OC)C(C)Cc1ccc(I)cc1.Cl
InChIInChI=1S/C11H16INO2.ClH/c1-9(13(14-2)15-3)8-10-4-6-11(12)7-5-10;/h4-7,9H,8H2,1-3H3;1H
InChIKeyDVELCDROTQTMHL-UHFFFAOYSA-N
MW357.62 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride

1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride (PubChem CID 90010871) has the molecular formula C11H17ClINO2 and a molecular weight of 357.62 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride
PubChem CID90010871
Molecular FormulaC11H17ClINO2
Molecular Weight357.62 g/mol
Exact Mass357.00
IUPAC Name1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride
SMILESCON(OC)C(C)Cc1ccc(I)cc1.Cl
InChIInChI=1S/C11H16INO2.ClH/c1-9(13(14-2)15-3)8-10-4-6-11(12)7-5-10;/h4-7,9H,8H2,1-3H3;1H
InChIKeyDVELCDROTQTMHL-UHFFFAOYSA-N
XLogP3.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-iodophenyl)-3-methoxypentan-2-ol
CID 116710944
1-(3-chloro-2-methylpentyl)-4-iodobenzene
CID 65477351
(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338104
[(2S)-1-(4-iodophenyl)propan-2-yl]-propan-2-ylazanium
CID 6919054
(2S)-1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine
CID 6603875
2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714268
2-hydrazinyl-1-(4-iodophenyl)-N,N,3-trimethylpentan-3-amine
CID 105240562
N-[(4-iodophenyl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 65477533
1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715433
1-(4-iodophenyl)pentan-2-ol
CID 65476847
1-(4-iodophenyl)pentan-2-amine
CID 65478921
1-(4-iodophenyl)-3,4-dimethylpentan-2-amine
CID 115864367

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride?
The IUPAC name of 1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride (CID 90010871) is 1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride?
The canonical SMILES for 1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride is CON(OC)C(C)Cc1ccc(I)cc1.Cl.
What is the InChIKey of 1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride?
The InChIKey is DVELCDROTQTMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO2.ClH/c1-9(13(14-2)15-3)8-10-4-6-11(12)7-5-10;/h4-7,9H,8H2,1-3H3;1H.
What are the key properties of 1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride?
1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride has a molecular weight of 357.62 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride is sourced from PubChem (CID 90010871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).