N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

C16H16ClNO — CID 103936660

IUPACN-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(Cl)c(NC2CCOc3ccccc32)c1
InChIInChI=1S/C16H16ClNO/c1-11-6-7-13(17)15(10-11)18-14-8-9-19-16-5-3-2-4-12(14)16/h2-7,10,14,18H,8-9H2,1H3
InChIKeyZGYHEPYRSMSZNN-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.58
Rot. Bonds2

About N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103936660) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID103936660
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(Cl)c(NC2CCOc3ccccc32)c1
InChIInChI=1S/C16H16ClNO/c1-11-6-7-13(17)15(10-11)18-14-8-9-19-16-5-3-2-4-12(14)16/h2-7,10,14,18H,8-9H2,1H3
InChIKeyZGYHEPYRSMSZNN-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-methylphenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107631116
N-(2-chloro-4-iodophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43733696
N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43195976
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine
CID 62364894
4-chloro-1-N-(3,4-dihydro-2H-chromen-4-yl)benzene-1,2-diamine
CID 62367304
N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43772699
N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43763115
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylpyridin-3-amine
CID 79042451
6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43765929
N-(3,4-dihydro-2H-chromen-4-yl)-5-methylpyridin-3-amine
CID 103932297
N-(3-bromo-5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43689315
N-(4-bromo-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107571684

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 103936660) is N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(Cl)c(NC2CCOc3ccccc32)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZGYHEPYRSMSZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-11-6-7-13(17)15(10-11)18-14-8-9-19-16-5-3-2-4-12(14)16/h2-7,10,14,18H,8-9H2,1H3.
What are the key properties of N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 273.76 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103936660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).