N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H13ClINO — CID 43733696

IUPACN-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESClc1cc(I)ccc1NC1CCOc2ccccc21
InChIInChI=1S/C15H13ClINO/c16-12-9-10(17)5-6-14(12)18-13-7-8-19-15-4-2-1-3-11(13)15/h1-6,9,13,18H,7-8H2
InChIKeyMYPRWRPKCWBVCH-UHFFFAOYSA-N
MW385.63 g/mol
LogP4.88
Rot. Bonds2

About N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine

N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43733696) has the molecular formula C15H13ClINO and a molecular weight of 385.63 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43733696
Molecular FormulaC15H13ClINO
Molecular Weight385.63 g/mol
Exact Mass384.97
IUPAC NameN-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESClc1cc(I)ccc1NC1CCOc2ccccc21
InChIInChI=1S/C15H13ClINO/c16-12-9-10(17)5-6-14(12)18-13-7-8-19-15-4-2-1-3-11(13)15/h1-6,9,13,18H,7-8H2
InChIKeyMYPRWRPKCWBVCH-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.63
LogP ≤ 54.88
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

8-bromo-N-(2-chloro-4-iodophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43788821
N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 103936660
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
CID 62367304
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine
CID 62364894
N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43195976
1-N-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzene-1,2-diamine
CID 62367472
N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43763115
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
6,8-dichloro-N-(4-iodo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785265
N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43689315
N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43772699
5-bromo-2-(3,4-dihydro-2H-chromen-4-ylamino)benzonitrile
CID 82707909

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43733696) is N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine is Clc1cc(I)ccc1NC1CCOc2ccccc21.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MYPRWRPKCWBVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO/c16-12-9-10(17)5-6-14(12)18-13-7-8-19-15-4-2-1-3-11(13)15/h1-6,9,13,18H,7-8H2.
What are the key properties of N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine?
N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 385.63 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43733696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).