2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride

C11H16ClNO — CID 175798234

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
SMILESCl.NCCC1CCOc2ccccc21
InChIInChI=1S/C11H15NO.ClH/c12-7-5-9-6-8-13-11-4-2-1-3-10(9)11;/h1-4,9H,5-8,12H2;1H
InChIKeyOOCXYTAOMQDFJY-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.32
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride

2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride (PubChem CID 175798234) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
PubChem CID175798234
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
SMILESCl.NCCC1CCOc2ccccc21
InChIInChI=1S/C11H15NO.ClH/c12-7-5-9-6-8-13-11-4-2-1-3-10(9)11;/h1-4,9H,5-8,12H2;1H
InChIKeyOOCXYTAOMQDFJY-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
3-(3,4-dihydro-2H-chromen-4-yl)propanal
CID 104771097
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]cyclopropan-1-amine
CID 83910100
2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 82078156
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
4-(3,4-dihydro-2H-chromen-4-yl)-1-iodobutan-1-amine
CID 118889673
4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine
CID 104772612
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 114802617
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine
CID 104769014
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride (CID 175798234) is 2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride is Cl.NCCC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride?
The InChIKey is OOCXYTAOMQDFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c12-7-5-9-6-8-13-11-4-2-1-3-10(9)11;/h1-4,9H,5-8,12H2;1H.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride?
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 175798234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).