N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine

C16H19NO — CID 90675828

IUPACN-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine
SMILESCCNCC1CCc2ccc3ccccc3c2O1
InChIInChI=1S/C16H19NO/c1-2-17-11-14-10-9-13-8-7-12-5-3-4-6-15(12)16(13)18-14/h3-8,14,17H,2,9-11H2,1H3
InChIKeyCEZHTUJICQBKCV-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.14
Rot. Bonds3

About N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine

N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine (PubChem CID 90675828) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine
PubChem CID90675828
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine
SMILESCCNCC1CCc2ccc3ccccc3c2O1
InChIInChI=1S/C16H19NO/c1-2-17-11-14-10-9-13-8-7-12-5-3-4-6-15(12)16(13)18-14/h3-8,14,17H,2,9-11H2,1H3
InChIKeyCEZHTUJICQBKCV-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine?
The IUPAC name of N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine (CID 90675828) is N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine is CCNCC1CCc2ccc3ccccc3c2O1.
What is the InChIKey of N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine?
The InChIKey is CEZHTUJICQBKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-17-11-14-10-9-13-8-7-12-5-3-4-6-15(12)16(13)18-14/h3-8,14,17H,2,9-11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine?
N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-benzo[h]chromen-2-ylmethyl)ethanamine is sourced from PubChem (CID 90675828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).