1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine

C17H17IN2 — CID 65490558

IUPAC1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine
SMILESCNCc1cc2ccccc2n1Cc1ccc(I)cc1
InChIInChI=1S/C17H17IN2/c1-19-11-16-10-14-4-2-3-5-17(14)20(16)12-13-6-8-15(18)9-7-13/h2-10,19H,11-12H2,1H3
InChIKeyGNRHQJRHWMFQHT-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.01
Rot. Bonds4

About 1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine

1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine (PubChem CID 65490558) has the molecular formula C17H17IN2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine
PubChem CID65490558
Molecular FormulaC17H17IN2
Molecular Weight376.24 g/mol
Exact Mass376.04
IUPAC Name1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine
SMILESCNCc1cc2ccccc2n1Cc1ccc(I)cc1
InChIInChI=1S/C17H17IN2/c1-19-11-16-10-14-4-2-3-5-17(14)20(16)12-13-6-8-15(18)9-7-13/h2-10,19H,11-12H2,1H3
InChIKeyGNRHQJRHWMFQHT-UHFFFAOYSA-N
XLogP4.01
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.01
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-[1-[(4-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 107887996
1-[1-[(2-chloro-3-fluorophenyl)methyl]indol-2-yl]-N-methylmethanamine
CID 115984349
1-[1-(2-ethylbutyl)indol-2-yl]-N-methylmethanamine
CID 82924833
N-methyl-1-[1-(3-methylsulfanylpropyl)indol-2-yl]methanamine
CID 113474415
1-(1-fluoroindol-2-yl)-N-methylmethanamine
CID 68501353
2-chloro-1-[(4-ethylphenyl)methyl]indole
CID 90911946
N-methyl-1-[1-(2-propylsulfonylethyl)indol-2-yl]methanamine
CID 106731932
methyl 2-(1-benzylindol-2-yl)acetate
CID 165356079
3-(1-benzylindol-2-yl)propan-1-amine
CID 115107392
2-iodo-1-(pyridin-4-ylmethyl)indole
CID 145189554
1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016
6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol
CID 142653865

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine (CID 65490558) is 1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine is CNCc1cc2ccccc2n1Cc1ccc(I)cc1.
What is the InChIKey of 1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine?
The InChIKey is GNRHQJRHWMFQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2/c1-19-11-16-10-14-4-2-3-5-17(14)20(16)12-13-6-8-15(18)9-7-13/h2-10,19H,11-12H2,1H3.
What are the key properties of 1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine?
1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine has a molecular weight of 376.24 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-iodophenyl)methyl]indol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 65490558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).