N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine

C16H19IN2 — CID 115854533

IUPACN-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)nc1)c1ccccc1I
InChIInChI=1S/C16H19IN2/c1-3-10-18-16(13-9-8-12(2)19-11-13)14-6-4-5-7-15(14)17/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeyHPVPHNBTDSXFIF-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.08
Rot. Bonds5

About N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 115854533) has the molecular formula C16H19IN2 and a molecular weight of 366.25 g/mol. Its IUPAC name is N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID115854533
Molecular FormulaC16H19IN2
Molecular Weight366.25 g/mol
Exact Mass366.06
IUPAC NameN-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)nc1)c1ccccc1I
InChIInChI=1S/C16H19IN2/c1-3-10-18-16(13-9-8-12(2)19-11-13)14-6-4-5-7-15(14)17/h4-9,11,16,18H,3,10H2,1-2H3
InChIKeyHPVPHNBTDSXFIF-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 43495083
N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63155815
N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 106849296
N-[(5-chloro-2-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854575
N-[(2-bromo-5-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854714
N-[(4-bromo-2-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854745
N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline
CID 105146242
N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 115800974
N-[(2,6-difluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854881
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115854580
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854598

Frequently Asked Questions

What is the IUPAC name of N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine (CID 115854533) is N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccc(C)nc1)c1ccccc1I.
What is the InChIKey of N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is HPVPHNBTDSXFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2/c1-3-10-18-16(13-9-8-12(2)19-11-13)14-6-4-5-7-15(14)17/h4-9,11,16,18H,3,10H2,1-2H3.
What are the key properties of N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 366.25 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 115854533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).