1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride

C11H16ClNO — CID 165145525

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1CCOc2ccccc21.Cl
InChIInChI=1S/C11H15NO.ClH/c1-12-8-9-6-7-13-11-5-3-2-4-10(9)11;/h2-5,9,12H,6-8H2,1H3;1H
InChIKeyHYTRKFGDVDJWSB-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.19
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride

1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride (PubChem CID 165145525) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
PubChem CID165145525
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
SMILESCNCC1CCOc2ccccc21.Cl
InChIInChI=1S/C11H15NO.ClH/c1-12-8-9-6-7-13-11-5-3-2-4-10(9)11;/h2-5,9,12H,6-8H2,1H3;1H
InChIKeyHYTRKFGDVDJWSB-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
N-methyl-1-(6-methyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 83907392
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
CID 113320280
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 54133919
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 104768322
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride (CID 165145525) is 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride is CNCC1CCOc2ccccc21.Cl.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is HYTRKFGDVDJWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-12-8-9-6-7-13-11-5-3-2-4-10(9)11;/h2-5,9,12H,6-8H2,1H3;1H.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride?
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.19, 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-4-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 165145525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).