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

C10H14ClNO — CID 122360387

IUPAC2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCC1CC(N)c2ccccc2O1.Cl
InChIInChI=1S/C10H13NO.ClH/c1-7-6-9(11)8-4-2-3-5-10(8)12-7;/h2-5,7,9H,6,11H2,1H3;1H
InChIKeyNUXKGXORZZZDFX-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.28
Rot. Bonds

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

2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 122360387) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID122360387
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCC1CC(N)c2ccccc2O1.Cl
InChIInChI=1S/C10H13NO.ClH/c1-7-6-9(11)8-4-2-3-5-10(8)12-7;/h2-5,7,9H,6,11H2,1H3;1H
InChIKeyNUXKGXORZZZDFX-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine
CID 141093967
S-[[(2S,4S)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methyl]thiohydroxylamine
CID 165409808
[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 165409949
(4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946122
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786
(4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945971
(2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
CID 165409978
(4R)-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946152
2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid
CID 57035759
(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946116
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of 2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 122360387) is 2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride is CC1CC(N)c2ccccc2O1.Cl.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is NUXKGXORZZZDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.ClH/c1-7-6-9(11)8-4-2-3-5-10(8)12-7;/h2-5,7,9H,6,11H2,1H3;1H.
What are the key properties of 2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 199.68 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 122360387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).