2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

C9H12ClNO — CID 119031462

IUPAC2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCC1Oc2ccccc2C1N.Cl
InChIInChI=1S/C9H11NO.ClH/c1-6-9(10)7-4-2-3-5-8(7)11-6;/h2-6,9H,10H2,1H3;1H
InChIKeyOOFOYEPMVYUODN-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.89
Rot. Bonds

About 2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (PubChem CID 119031462) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
PubChem CID119031462
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCC1Oc2ccccc2C1N.Cl
InChIInChI=1S/C9H11NO.ClH/c1-6-9(10)7-4-2-3-5-8(7)11-6;/h2-6,9H,10H2,1H3;1H
InChIKeyOOFOYEPMVYUODN-UHFFFAOYSA-N
XLogP1.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Ethoxybenzylamine
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6-(2-Aminopropyl)-2,3-dihydrobenzofuran
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5-Apdb
CID 192601
4-Ethoxy-alpha-methylbenzeneethanamine
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1-(4-Propoxyphenyl)propan-2-amine
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2-Methoxyamphetamine
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1-(4-Butoxyphenyl)ethanamine
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2-Methoxybenzylamine
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1-(o-Tolyloxy)propan-2-amine hydrochloride
CID 69263906
1-(4-Ethoxyphenyl)ethan-1-amine
CID 59831
2,3-Dihydro-1-benzofuran-5-ylmethanamine
CID 2735367

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The IUPAC name of 2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (CID 119031462) is 2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.
What is the SMILES notation for 2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The canonical SMILES for 2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is CC1Oc2ccccc2C1N.Cl.
What is the InChIKey of 2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The InChIKey is OOFOYEPMVYUODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c1-6-9(10)7-4-2-3-5-8(7)11-6;/h2-6,9H,10H2,1H3;1H.
What are the key properties of 2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is sourced from PubChem (CID 119031462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).