1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine

C18H21NO — CID 114743820

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)(N)c1cccc2c1OCCC2
InChIInChI=1S/C18H21NO/c1-13-7-3-4-10-15(13)18(2,19)16-11-5-8-14-9-6-12-20-17(14)16/h3-5,7-8,10-11H,6,9,12,19H2,1-2H3
InChIKeyYMJJJWDINFDYII-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.54
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine

1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine (PubChem CID 114743820) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine
PubChem CID114743820
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)(N)c1cccc2c1OCCC2
InChIInChI=1S/C18H21NO/c1-13-7-3-4-10-15(13)18(2,19)16-11-5-8-14-9-6-12-20-17(14)16/h3-5,7-8,10-11H,6,9,12,19H2,1-2H3
InChIKeyYMJJJWDINFDYII-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114747537
2-(3,4-dihydro-2H-chromen-8-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114747718
1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine
CID 114743817
1-amino-2-(3,4-dihydro-2H-chromen-8-yl)butan-2-ol
CID 114743669
1-(3,4-dihydro-2H-chromen-8-yl)-1-(furan-3-yl)ethanol
CID 114743643
8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene
CID 158337388
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
2-amino-2-(3,4-dihydro-2H-chromen-8-yl)-3,3,3-trifluoropropanoic acid
CID 114746833
1-(3-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114743837
1-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114743831
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
2-[2-(3,4-dihydro-2H-chromen-8-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114747022

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine (CID 114743820) is 1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(C)(N)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine?
The InChIKey is YMJJJWDINFDYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-7-3-4-10-15(13)18(2,19)16-11-5-8-14-9-6-12-20-17(14)16/h3-5,7-8,10-11H,6,9,12,19H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine?
1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 114743820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).