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

C18H21NO — CID 65409504

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CC(N)C1COc2ccccc2C1
InChIInChI=1S/C18H21NO/c1-13-6-2-3-7-14(13)11-17(19)16-10-15-8-4-5-9-18(15)20-12-16/h2-9,16-17H,10-12,19H2,1H3
InChIKeyBZQRMEZEEGQQSW-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.12
Rot. Bonds3

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

1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine (PubChem CID 65409504) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine
PubChem CID65409504
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CC(N)C1COc2ccccc2C1
InChIInChI=1S/C18H21NO/c1-13-6-2-3-7-14(13)11-17(19)16-10-15-8-4-5-9-18(15)20-12-16/h2-9,16-17H,10-12,19H2,1H3
InChIKeyBZQRMEZEEGQQSW-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine (CID 65409504) is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine is Cc1ccccc1CC(N)C1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine?
The InChIKey is BZQRMEZEEGQQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-6-2-3-7-14(13)11-17(19)16-10-15-8-4-5-9-18(15)20-12-16/h2-9,16-17H,10-12,19H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine?
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.12, 3 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-3-yl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 65409504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).