N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine

C14H12F3IN2 — CID 82812139

IUPACN-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCC(Nc1ccc(C(F)(F)F)nc1)c1ccc(I)cc1
InChIInChI=1S/C14H12F3IN2/c1-9(10-2-4-11(18)5-3-10)20-12-6-7-13(19-8-12)14(15,16)17/h2-9,20H,1H3
InChIKeyMPVQUQLYWDZFJY-UHFFFAOYSA-N
MW392.16 g/mol
LogP4.88
Rot. Bonds3

About N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine

N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 82812139) has the molecular formula C14H12F3IN2 and a molecular weight of 392.16 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine
PubChem CID82812139
Molecular FormulaC14H12F3IN2
Molecular Weight392.16 g/mol
Exact Mass392.00
IUPAC NameN-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCC(Nc1ccc(C(F)(F)F)nc1)c1ccc(I)cc1
InChIInChI=1S/C14H12F3IN2/c1-9(10-2-4-11(18)5-3-10)20-12-6-7-13(19-8-12)14(15,16)17/h2-9,20H,1H3
InChIKeyMPVQUQLYWDZFJY-UHFFFAOYSA-N
XLogP4.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.16
LogP ≤ 54.88
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-(1-pyridin-4-ylethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82812363
4-[1-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]benzonitrile
CID 82795079
N-[1-(4-fluorophenyl)ethyl]-4-iodoaniline
CID 43088233
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 63455967
2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol
CID 82811107
4-iodo-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43124343
N-pentan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 82810705
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
N-[1-(4-iodophenyl)ethyl]pyridin-3-amine
CID 43756657
3,4-difluoro-N-[1-(4-iodophenyl)ethyl]aniline
CID 43761590
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine (CID 82812139) is N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine is CC(Nc1ccc(C(F)(F)F)nc1)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is MPVQUQLYWDZFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3IN2/c1-9(10-2-4-11(18)5-3-10)20-12-6-7-13(19-8-12)14(15,16)17/h2-9,20H,1H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine?
N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 392.16 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 82812139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).