N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline

C15H14INO2 — CID 28975647

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline
SMILESIc1ccc(NCc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C15H14INO2/c16-12-2-4-13(5-3-12)17-10-11-1-6-14-15(9-11)19-8-7-18-14/h1-6,9,17H,7-8,10H2
InChIKeyWZFAMAHFQNIASI-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.67
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline (PubChem CID 28975647) has the molecular formula C15H14INO2 and a molecular weight of 367.19 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline
PubChem CID28975647
Molecular FormulaC15H14INO2
Molecular Weight367.19 g/mol
Exact Mass367.01
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline
SMILESIc1ccc(NCc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C15H14INO2/c16-12-2-4-13(5-3-12)17-10-11-1-6-14-15(9-11)19-8-7-18-14/h1-6,9,17H,7-8,10H2
InChIKeyWZFAMAHFQNIASI-UHFFFAOYSA-N
XLogP3.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 39447919
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoro-4-methylaniline
CID 28617768
2-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-iodoaniline
CID 63445494
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)thiohydroxylamine
CID 163890520
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-iodophenyl)propanamide
CID 17488745
6-[(4-iodoanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075376
2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzonitrile
CID 43347932
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-3-methoxyaniline
CID 114838369
N-(1,3-benzodioxol-5-ylmethyl)-4-morpholin-4-ylaniline
CID 755929
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2H-tetrazol-5-amine
CID 17057745
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide
CID 28650742
N-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115262976

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline (CID 28975647) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline is Ic1ccc(NCc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline?
The InChIKey is WZFAMAHFQNIASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2/c16-12-2-4-13(5-3-12)17-10-11-1-6-14-15(9-11)19-8-7-18-14/h1-6,9,17H,7-8,10H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline has a molecular weight of 367.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-iodoaniline is sourced from PubChem (CID 28975647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).