3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine

C15H17IN2O — CID 25125568

IUPAC3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(Oc1cccnc1I)c1ccccc1
InChIInChI=1S/C15H17IN2O/c1-17-11-9-13(12-6-3-2-4-7-12)19-14-8-5-10-18-15(14)16/h2-8,10,13,17H,9,11H2,1H3
InChIKeyQFAIJDNPCCNTBY-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.42
Rot. Bonds6

About 3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine

3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine (PubChem CID 25125568) has the molecular formula C15H17IN2O and a molecular weight of 368.22 g/mol. Its IUPAC name is 3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
PubChem CID25125568
Molecular FormulaC15H17IN2O
Molecular Weight368.22 g/mol
Exact Mass368.04
IUPAC Name3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(Oc1cccnc1I)c1ccccc1
InChIInChI=1S/C15H17IN2O/c1-17-11-9-13(12-6-3-2-4-7-12)19-14-8-5-10-18-15(14)16/h2-8,10,13,17H,9,11H2,1H3
InChIKeyQFAIJDNPCCNTBY-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
N-methyl-3-phenyl-3-[2-[(pyridin-2-ylmethylamino)methyl]phenoxy]propan-1-amine
CID 138738145
(3S)-3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 10338938
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
(3R)-3-(2-iodo-4-methylphenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 45262226
3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 164613837
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
N-[[2-[3-(methylamino)-1-phenylpropoxy]phenyl]methyl]aniline
CID 138738140
N-methyl-3-phenyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 12807459
(3R)-3-[(2-ethoxy-3-pyridinyl)oxy]-N-ethyl-3-phenylpropan-1-amine
CID 122581769
2-[3-(methylamino)-1-phenylpropoxy]-N-(2-phenylethyl)aniline
CID 138738161

Frequently Asked Questions

What is the IUPAC name of 3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine (CID 25125568) is 3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine is CNCCC(Oc1cccnc1I)c1ccccc1.
What is the InChIKey of 3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine?
The InChIKey is QFAIJDNPCCNTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O/c1-17-11-9-13(12-6-3-2-4-7-12)19-14-8-5-10-18-15(14)16/h2-8,10,13,17H,9,11H2,1H3.
What are the key properties of 3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine?
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine has a molecular weight of 368.22 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 25125568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).