1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine

C15H17IN2 — CID 81345023

IUPAC1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
SMILESCC(N[C@@H](C)c1cccnc1)c1ccc(I)cc1
InChIInChI=1S/C15H17IN2/c1-11(13-5-7-15(16)8-6-13)18-12(2)14-4-3-9-17-10-14/h3-12,18H,1-2H3/t11?,12-/m0/s1
InChIKeyZTUDEFITJIKVQG-KIYNQFGBSA-N
MW352.22 g/mol
LogP4.10
Rot. Bonds4

About 1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine

1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine (PubChem CID 81345023) has the molecular formula C15H17IN2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
PubChem CID81345023
Molecular FormulaC15H17IN2
Molecular Weight352.22 g/mol
Exact Mass352.04
IUPAC Name1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
SMILESCC(N[C@@H](C)c1cccnc1)c1ccc(I)cc1
InChIInChI=1S/C15H17IN2/c1-11(13-5-7-15(16)8-6-13)18-12(2)14-4-3-9-17-10-14/h3-12,18H,1-2H3/t11?,12-/m0/s1
InChIKeyZTUDEFITJIKVQG-KIYNQFGBSA-N
XLogP4.10
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 ≤ 54.10
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

(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
1-(4-methylsulfanylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139134
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
N-[1-(4-iodophenyl)ethyl]pyridin-3-amine
CID 43756657
4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81407237
1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43203644
[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea
CID 81392080
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81402901
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine?
The IUPAC name of 1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine (CID 81345023) is 1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine.
What is the SMILES notation for 1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine?
The canonical SMILES for 1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine is CC(N[C@@H](C)c1cccnc1)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine?
The InChIKey is ZTUDEFITJIKVQG-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H17IN2/c1-11(13-5-7-15(16)8-6-13)18-12(2)14-4-3-9-17-10-14/h3-12,18H,1-2H3/t11?,12-/m0/s1.
What are the key properties of 1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine?
1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine has a molecular weight of 352.22 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine is sourced from PubChem (CID 81345023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).