N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine

C15H16FIN2 — CID 105038095

IUPACN-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1F)c1ccccc1I
InChIInChI=1S/C15H16FIN2/c1-2-8-19-15(11-7-9-18-10-13(11)16)12-5-3-4-6-14(12)17/h3-7,9-10,15,19H,2,8H2,1H3
InChIKeyXTJDWTGVNLCFGZ-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.91
Rot. Bonds5

About N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine

N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine (PubChem CID 105038095) has the molecular formula C15H16FIN2 and a molecular weight of 370.21 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
PubChem CID105038095
Molecular FormulaC15H16FIN2
Molecular Weight370.21 g/mol
Exact Mass370.03
IUPAC NameN-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1F)c1ccccc1I
InChIInChI=1S/C15H16FIN2/c1-2-8-19-15(11-7-9-18-10-13(11)16)12-5-3-4-6-14(12)17/h3-7,9-10,15,19H,2,8H2,1H3
InChIKeyXTJDWTGVNLCFGZ-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 105038327
N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038130
N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038416
N-[(2-bromo-4-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038165
N-[(2,6-difluoro-3-methylphenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105027016
N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 115800974
N-[(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114031712
3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312287
N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine (CID 105038095) is N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine is CCCNC(c1ccncc1F)c1ccccc1I.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine?
The InChIKey is XTJDWTGVNLCFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FIN2/c1-2-8-19-15(11-7-9-18-10-13(11)16)12-5-3-4-6-14(12)17/h3-7,9-10,15,19H,2,8H2,1H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine?
N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine has a molecular weight of 370.21 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine is sourced from PubChem (CID 105038095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).