3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine

C11H15FIN — CID 170866056

IUPAC3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(F)cc(I)c1
InChIInChI=1S/C11H15FIN/c1-14(2)5-3-4-9-6-10(12)8-11(13)7-9/h6-8H,3-5H2,1-2H3
InChIKeyDTEDTYHEZQPFIC-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.92
Rot. Bonds4

About 3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine

3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170866056) has the molecular formula C11H15FIN and a molecular weight of 307.15 g/mol. Its IUPAC name is 3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine
PubChem CID170866056
Molecular FormulaC11H15FIN
Molecular Weight307.15 g/mol
Exact Mass307.02
IUPAC Name3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(F)cc(I)c1
InChIInChI=1S/C11H15FIN/c1-14(2)5-3-4-9-6-10(12)8-11(13)7-9/h6-8H,3-5H2,1-2H3
InChIKeyDTEDTYHEZQPFIC-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 141112133
3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine
CID 174659649
N-[2-(3,5-difluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 114525148
1-[3-(3-fluoro-5-iodophenyl)propyl]-4-methylpiperazine
CID 170863311
2-(3-bromo-5-fluorophenyl)-N,N-dimethylethanamine
CID 171396178
3-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]benzene-1,2-diamine
CID 126558940
5-[3-(dimethylamino)propyl]benzene-1,2,3-triol
CID 170865399
2-[3-(dimethylamino)propyl]-4,6-difluorophenol
CID 170865567
4-[3-(dimethylamino)propyl]-2-iodo-6-methoxyphenol
CID 170865187
N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine
CID 58563398
2-[3-(dimethylamino)propyl]-5-fluorophenol
CID 170865708
3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine
CID 170865915

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine (CID 170866056) is 3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc(F)cc(I)c1.
What is the InChIKey of 3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is DTEDTYHEZQPFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FIN/c1-14(2)5-3-4-9-6-10(12)8-11(13)7-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine?
3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 307.15 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).