(2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine

C13H17IN2 — CID 90144904

IUPAC(2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cc1c[nH]c2cc(I)ccc12)N(C)C
InChIInChI=1S/C13H17IN2/c1-9(16(2)3)6-10-8-15-13-7-11(14)4-5-12(10)13/h4-5,7-9,15H,6H2,1-3H3/t9-/m1/s1
InChIKeyFCEBHOXUTLJORA-SECBINFHSA-N
MW328.20 g/mol
LogP3.27
Rot. Bonds3

About (2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine

(2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine (PubChem CID 90144904) has the molecular formula C13H17IN2 and a molecular weight of 328.20 g/mol. Its IUPAC name is (2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine
PubChem CID90144904
Molecular FormulaC13H17IN2
Molecular Weight328.20 g/mol
Exact Mass328.04
IUPAC Name(2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cc1c[nH]c2cc(I)ccc12)N(C)C
InChIInChI=1S/C13H17IN2/c1-9(16(2)3)6-10-8-15-13-7-11(14)4-5-12(10)13/h4-5,7-9,15H,6H2,1-3H3/t9-/m1/s1
InChIKeyFCEBHOXUTLJORA-SECBINFHSA-N
XLogP3.27
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine with MolForge

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Related Compounds

3-ethyl-6-iodo-1H-indole
CID 135269455
(2R)-1-(7-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine
CID 90144934
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine
CID 166038734
(2R)-1-(3-iodophenyl)-N,N-dimethylpropan-2-amine
CID 90144903
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine;hydrate;hydrobromide
CID 23623089
1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride
CID 86018044
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
2-(dimethylamino)-3-(6-fluoro-1H-indol-3-yl)propanal;2-(dimethylamino)-3-(4-fluorophenyl)propanal
CID 153365983
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 158407145

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine?
The IUPAC name of (2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine (CID 90144904) is (2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for (2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for (2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine is C[C@H](Cc1c[nH]c2cc(I)ccc12)N(C)C.
What is the InChIKey of (2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine?
The InChIKey is FCEBHOXUTLJORA-SECBINFHSA-N. The full InChI is InChI=1S/C13H17IN2/c1-9(16(2)3)6-10-8-15-13-7-11(14)4-5-12(10)13/h4-5,7-9,15H,6H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine?
(2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine has a molecular weight of 328.20 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-iodo-1H-indol-3-yl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 90144904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).