N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride

C10H14ClNO — CID 3042831

IUPACN-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCNC1COc2ccccc2C1.Cl
InChIInChI=1S/C10H13NO.ClH/c1-11-9-6-8-4-2-3-5-10(8)12-7-9;/h2-5,9,11H,6-7H2,1H3;1H
InChIKeyYDHFWKMNFCKUBH-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.63
Rot. Bonds1

About N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride

N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride (PubChem CID 3042831) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
PubChem CID3042831
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC NameN-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCNC1COc2ccccc2C1.Cl
InChIInChI=1S/C10H13NO.ClH/c1-11-9-6-8-4-2-3-5-10(8)12-7-9;/h2-5,9,11H,6-7H2,1H3;1H
InChIKeyYDHFWKMNFCKUBH-UHFFFAOYSA-N
XLogP1.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The IUPAC name of N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride (CID 3042831) is N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The canonical SMILES for N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride is CNC1COc2ccccc2C1.Cl.
What is the InChIKey of N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The InChIKey is YDHFWKMNFCKUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c1-11-9-6-8-4-2-3-5-10(8)12-7-9;/h2-5,9,11H,6-7H2,1H3;1H.
What are the key properties of N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride is sourced from PubChem (CID 3042831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).