N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine

C17H18INO — CID 104523967

IUPACN-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(I)ccc1NC1c2ccccc2OCC1C
InChIInChI=1S/C17H18INO/c1-11-9-13(18)7-8-15(11)19-17-12(2)10-20-16-6-4-3-5-14(16)17/h3-9,12,17,19H,10H2,1-2H3
InChIKeyFFKJSTYMBUAOEP-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.78
Rot. Bonds2

About N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine

N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104523967) has the molecular formula C17H18INO and a molecular weight of 379.24 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104523967
Molecular FormulaC17H18INO
Molecular Weight379.24 g/mol
Exact Mass379.04
IUPAC NameN-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(I)ccc1NC1c2ccccc2OCC1C
InChIInChI=1S/C17H18INO/c1-11-9-13(18)7-8-15(11)19-17-12(2)10-20-16-6-4-3-5-14(16)17/h3-9,12,17,19H,10H2,1-2H3
InChIKeyFFKJSTYMBUAOEP-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.78
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

3-methyl-N-(2-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523757
2-methyl-5-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]phenol
CID 107700076
N-(3-bromo-4-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524166
N-(2-bromo-3-chlorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103478175
2-N,2-N-dimethyl-3-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 104523960
3-methyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104523755
(3S)-N-(4-iodo-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7463996
N-(4-bromo-3-fluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524228
4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline
CID 103561331
N-(2-chloro-4,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104524377
N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43195976
N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline
CID 64752738

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine (CID 104523967) is N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1cc(I)ccc1NC1c2ccccc2OCC1C.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FFKJSTYMBUAOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO/c1-11-9-13(18)7-8-15(11)19-17-12(2)10-20-16-6-4-3-5-14(16)17/h3-9,12,17,19H,10H2,1-2H3.
What are the key properties of N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine?
N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 379.24 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-3-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104523967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).