1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine

C14H20INO — CID 55014093

IUPAC1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCCO1)c1ccc(I)cc1
InChIInChI=1S/C14H20INO/c1-11(12-5-7-13(15)8-6-12)16-10-14-4-2-3-9-17-14/h5-8,11,14,16H,2-4,9-10H2,1H3
InChIKeyCGNCRCSVLDZICM-UHFFFAOYSA-N
MW345.22 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine

1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 55014093) has the molecular formula C14H20INO and a molecular weight of 345.22 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
PubChem CID55014093
Molecular FormulaC14H20INO
Molecular Weight345.22 g/mol
Exact Mass345.06
IUPAC Name1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCCO1)c1ccc(I)cc1
InChIInChI=1S/C14H20INO/c1-11(12-5-7-13(15)8-6-12)16-10-14-4-2-3-9-17-14/h5-8,11,14,16H,2-4,9-10H2,1H3
InChIKeyCGNCRCSVLDZICM-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 53.51
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-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619
N-[1-(4-iodophenyl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43770023
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
1-(3-bromophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54949073
N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 43403760
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
1-(furan-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403758
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
CID 54940930
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
4-iodo-N-(oxan-2-ylmethyl)aniline
CID 43403484
1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43111276
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 100558519

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine (CID 55014093) is 1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine is CC(NCC1CCCCO1)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is CGNCRCSVLDZICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO/c1-11(12-5-7-13(15)8-6-12)16-10-14-4-2-3-9-17-14/h5-8,11,14,16H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine?
1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 345.22 g/mol, XLogP of 3.51, 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-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 55014093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).