N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

C15H17IN2 — CID 115854960

IUPACN-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1cccc(I)c1
InChIInChI=1S/C15H17IN2/c1-3-17-15(12-5-4-6-14(16)9-12)13-8-7-11(2)18-10-13/h4-10,15,17H,3H2,1-2H3
InChIKeyKJUCGCQSRWMETR-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.69
Rot. Bonds4

About N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 115854960) has the molecular formula C15H17IN2 and a molecular weight of 352.22 g/mol. Its IUPAC name is N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID115854960
Molecular FormulaC15H17IN2
Molecular Weight352.22 g/mol
Exact Mass352.04
IUPAC NameN-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)c1cccc(I)c1
InChIInChI=1S/C15H17IN2/c1-3-17-15(12-5-4-6-14(16)9-12)13-8-7-11(2)18-10-13/h4-10,15,17H,3H2,1-2H3
InChIKeyKJUCGCQSRWMETR-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.69
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-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155416
N-[(6-methyl-3-pyridinyl)-naphthalen-2-ylmethyl]ethanamine
CID 63155569
N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155426
N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43489415
N-[(3,4-diethylphenyl)-(3-iodophenyl)methyl]ethanamine
CID 115482284
N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897
N-[(3-iodophenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489185
N-[(6-methyl-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 105144382
N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854598
N-[(2,3-dichlorophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854889
N-[(2,4-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854963

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 115854960) is N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)c1cccc(I)c1.
What is the InChIKey of N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is KJUCGCQSRWMETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2/c1-3-17-15(12-5-4-6-14(16)9-12)13-8-7-11(2)18-10-13/h4-10,15,17H,3H2,1-2H3.
What are the key properties of N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 352.22 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 115854960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).