(1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine

C11H16INO — CID 130673474

IUPAC(1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc([C@@H](C)N)c(I)c1
InChIInChI=1S/C11H16INO/c1-7(2)14-9-4-5-10(8(3)13)11(12)6-9/h4-8H,13H2,1-3H3/t8-/m1/s1
InChIKeySZAJXCWHUSCNLP-MRVPVSSYSA-N
MW305.16 g/mol
LogP3.10
Rot. Bonds3

About (1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine

(1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine (PubChem CID 130673474) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is (1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine
PubChem CID130673474
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name(1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc([C@@H](C)N)c(I)c1
InChIInChI=1S/C11H16INO/c1-7(2)14-9-4-5-10(8(3)13)11(12)6-9/h4-8H,13H2,1-3H3/t8-/m1/s1
InChIKeySZAJXCWHUSCNLP-MRVPVSSYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.10
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

1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
CID 82267415
1-fluoro-2-iodo-4-propan-2-yloxybenzene
CID 131606959
1-iodo-2-methoxy-4-propan-2-yloxybenzene
CID 131308611
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(2-amino-4-propan-2-yloxyphenyl)methanediol
CID 142498218
2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene
CID 130848311
1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine
CID 82553641
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
CID 78935870
2,5-di(propan-2-yloxy)aniline
CID 18997718
2-chloro-5-propan-2-yloxyaniline
CID 39237829
2-chloro-4-propan-2-yloxyaniline
CID 62113434
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of (1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine (CID 130673474) is (1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for (1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc([C@@H](C)N)c(I)c1.
What is the InChIKey of (1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is SZAJXCWHUSCNLP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16INO/c1-7(2)14-9-4-5-10(8(3)13)11(12)6-9/h4-8H,13H2,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine?
(1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 305.16 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 130673474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).