N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine

C17H21IN2 — CID 66448862

IUPACN-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cn1)c1ccc(I)cc1
InChIInChI=1S/C17H21IN2/c1-3-10-19-17(14-5-7-15(18)8-6-14)11-16-9-4-13(2)12-20-16/h4-9,12,17,19H,3,10-11H2,1-2H3
InChIKeyMJTGKUNLOKHPRD-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.28
Rot. Bonds6

About N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine

N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 66448862) has the molecular formula C17H21IN2 and a molecular weight of 380.27 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
PubChem CID66448862
Molecular FormulaC17H21IN2
Molecular Weight380.27 g/mol
Exact Mass380.07
IUPAC NameN-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cn1)c1ccc(I)cc1
InChIInChI=1S/C17H21IN2/c1-3-10-19-17(14-5-7-15(18)8-6-14)11-16-9-4-13(2)12-20-16/h4-9,12,17,19H,3,10-11H2,1-2H3
InChIKeyMJTGKUNLOKHPRD-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.28
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-[2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 79732889
N-[1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81459587
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594
N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 107989126
N-[2-(5-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 66459653
N-[1-(furan-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66459042
1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66460323
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66459041
N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447120
N-[1-(5-chloro-2-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66461658
N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199678

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine (CID 66448862) is N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cn1)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is MJTGKUNLOKHPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21IN2/c1-3-10-19-17(14-5-7-15(18)8-6-14)11-16-9-4-13(2)12-20-16/h4-9,12,17,19H,3,10-11H2,1-2H3.
What are the key properties of N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine?
N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 380.27 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 66448862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).