1-[(3-iodophenyl)methyl]indol-5-amine

C15H13IN2 — CID 156881409

IUPAC1-[(3-iodophenyl)methyl]indol-5-amine
SMILESNc1ccc2c(ccn2Cc2cccc(I)c2)c1
InChIInChI=1S/C15H13IN2/c16-13-3-1-2-11(8-13)10-18-7-6-12-9-14(17)4-5-15(12)18/h1-9H,10,17H2
InChIKeyDCEVHGBCYFCKCH-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.88
Rot. Bonds2

About 1-[(3-iodophenyl)methyl]indol-5-amine

1-[(3-iodophenyl)methyl]indol-5-amine (PubChem CID 156881409) has the molecular formula C15H13IN2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 1-[(3-iodophenyl)methyl]indol-5-amine.

Molecular Properties

Compound Name1-[(3-iodophenyl)methyl]indol-5-amine
PubChem CID156881409
Molecular FormulaC15H13IN2
Molecular Weight348.19 g/mol
Exact Mass348.01
IUPAC Name1-[(3-iodophenyl)methyl]indol-5-amine
SMILESNc1ccc2c(ccn2Cc2cccc(I)c2)c1
InChIInChI=1S/C15H13IN2/c16-13-3-1-2-11(8-13)10-18-7-6-12-9-14(17)4-5-15(12)18/h1-9H,10,17H2
InChIKeyDCEVHGBCYFCKCH-UHFFFAOYSA-N
XLogP3.88
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(3-iodophenyl)methyl]indol-5-yl]prop-2-enamide
CID 175883494
1-benzylindol-6-amine
CID 69325204
3-[(5-propoxyindol-1-yl)methyl]aniline
CID 80648798
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
5-[(5-aminoindol-1-yl)methyl]-2-fluorobenzonitrile
CID 107880796
4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile
CID 63881946
1-(4-phenylbutyl)indol-5-amine
CID 114333583
1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine
CID 62125660
2-[2-[(5-aminoindol-1-yl)methyl]phenyl]acetic acid
CID 115462296
2-(5-aminoindol-1-yl)ethanol
CID 43165354
1-[(5-chlorothiophen-2-yl)methyl]indol-5-amine
CID 43165363
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704

Frequently Asked Questions

What is the IUPAC name of 1-[(3-iodophenyl)methyl]indol-5-amine?
The IUPAC name of 1-[(3-iodophenyl)methyl]indol-5-amine (CID 156881409) is 1-[(3-iodophenyl)methyl]indol-5-amine.
What is the SMILES notation for 1-[(3-iodophenyl)methyl]indol-5-amine?
The canonical SMILES for 1-[(3-iodophenyl)methyl]indol-5-amine is Nc1ccc2c(ccn2Cc2cccc(I)c2)c1.
What is the InChIKey of 1-[(3-iodophenyl)methyl]indol-5-amine?
The InChIKey is DCEVHGBCYFCKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2/c16-13-3-1-2-11(8-13)10-18-7-6-12-9-14(17)4-5-15(12)18/h1-9H,10,17H2.
What are the key properties of 1-[(3-iodophenyl)methyl]indol-5-amine?
1-[(3-iodophenyl)methyl]indol-5-amine has a molecular weight of 348.19 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-iodophenyl)methyl]indol-5-amine is sourced from PubChem (CID 156881409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).