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

C10H14ClNO — CID 3041594

IUPAC6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCc1ccc2c(c1)CC(N)CO2.Cl
InChIInChI=1S/C10H13NO.ClH/c1-7-2-3-10-8(4-7)5-9(11)6-12-10;/h2-4,9H,5-6,11H2,1H3;1H
InChIKeyBMYNVFMTSSEVRZ-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.68
Rot. Bonds

About 6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride

6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride (PubChem CID 3041594) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
PubChem CID3041594
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
SMILESCc1ccc2c(c1)CC(N)CO2.Cl
InChIInChI=1S/C10H13NO.ClH/c1-7-2-3-10-8(4-7)5-9(11)6-12-10;/h2-4,9H,5-6,11H2,1H3;1H
InChIKeyBMYNVFMTSSEVRZ-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The IUPAC name of 6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride (CID 3041594) is 6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride.
What is the SMILES notation for 6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The canonical SMILES for 6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride is Cc1ccc2c(c1)CC(N)CO2.Cl.
What is the InChIKey of 6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
The InChIKey is BMYNVFMTSSEVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c1-7-2-3-10-8(4-7)5-9(11)6-12-10;/h2-4,9H,5-6,11H2,1H3;1H.
What are the key properties of 6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride?
6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride is sourced from PubChem (CID 3041594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).