N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine

C17H19NO2 — CID 107148789

IUPACN-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESCOc1ccc(C)cc1NC1COCc2ccccc21
InChIInChI=1S/C17H19NO2/c1-12-7-8-17(19-2)15(9-12)18-16-11-20-10-13-5-3-4-6-14(13)16/h3-9,16,18H,10-11H2,1-2H3
InChIKeyRBEWTVLSDFTXFS-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.69
Rot. Bonds3

About N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine

N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107148789) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107148789
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESCOc1ccc(C)cc1NC1COCc2ccccc21
InChIInChI=1S/C17H19NO2/c1-12-7-8-17(19-2)15(9-12)18-16-11-20-10-13-5-3-4-6-14(13)16/h3-9,16,18H,10-11H2,1-2H3
InChIKeyRBEWTVLSDFTXFS-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148719
N-(3-methoxy-2,4-dimethylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149119
N-(5-fluoro-2-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148821
N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149009
N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148757
N-(2-methoxy-5-methylphenyl)oxolan-3-amine
CID 63331725
N-(3,5-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148779
(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
CID 1225051
N-(4-tert-butylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148755
N-(3-bromophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148809
N-(2-methoxyphenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43757867
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149518

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine (CID 107148789) is N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine is COc1ccc(C)cc1NC1COCc2ccccc21.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is RBEWTVLSDFTXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-7-8-17(19-2)15(9-12)18-16-11-20-10-13-5-3-4-6-14(13)16/h3-9,16,18H,10-11H2,1-2H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine?
N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 269.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107148789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).