N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine

C18H21NO2 — CID 107149009

IUPACN-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESCCCOc1ccccc1NC1COCc2ccccc21
InChIInChI=1S/C18H21NO2/c1-2-11-21-18-10-6-5-9-16(18)19-17-13-20-12-14-7-3-4-8-15(14)17/h3-10,17,19H,2,11-13H2,1H3
InChIKeyOHSXVQFUYDJJDP-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.16
Rot. Bonds5

About N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine

N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107149009) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107149009
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESCCCOc1ccccc1NC1COCc2ccccc21
InChIInChI=1S/C18H21NO2/c1-2-11-21-18-10-6-5-9-16(18)19-17-13-20-12-14-7-3-4-8-15(14)17/h3-10,17,19H,2,11-13H2,1H3
InChIKeyOHSXVQFUYDJJDP-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-propoxyanilino)-2,3-dihydro-1-benzofuran-6-ol
CID 43682338
N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148789
N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191712
N-(2,4-dimethylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148719
N-cyclohexyl-2-propoxyaniline
CID 43682292
1-N-(2,3-dihydro-1H-inden-2-yl)-3-propoxybenzene-1,2-diamine
CID 107844538
N-(3-methoxy-2,4-dimethylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149119
N-(2,4-dichlorophenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148757
4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
CID 79724258
N-(4-tert-butylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148755
2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998703
1-N-(oxan-4-yl)-3-propoxybenzene-1,2-diamine
CID 113393325

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine (CID 107149009) is N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine is CCCOc1ccccc1NC1COCc2ccccc21.
What is the InChIKey of N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is OHSXVQFUYDJJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-11-21-18-10-6-5-9-16(18)19-17-13-20-12-14-7-3-4-8-15(14)17/h3-10,17,19H,2,11-13H2,1H3.
What are the key properties of N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine?
N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 283.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyphenyl)-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107149009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).