(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

C8H10ClNO — CID 119030525

IUPAC(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.N[C@@H]1COc2ccccc21
InChIInChI=1S/C8H9NO.ClH/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-4,7H,5,9H2;1H/t7-;/m1./s1
InChIKeyIVRJMBYBAPVRHB-OGFXRTJISA-N
MW171.63 g/mol
LogP1.50
Rot. Bonds

About (3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (PubChem CID 119030525) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is (3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
PubChem CID119030525
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.N[C@@H]1COc2ccccc21
InChIInChI=1S/C8H9NO.ClH/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-4,7H,5,9H2;1H/t7-;/m1./s1
InChIKeyIVRJMBYBAPVRHB-OGFXRTJISA-N
XLogP1.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 51669849
2,3-dihydrobenzo[f][1]benzofuran-3-amine
CID 55272031
2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 15619698
1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine
CID 102547899
(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 51669851
2,3-dihydro-1-benzofuran-3-ol
CID 585896
3-iodo-2,3-dihydro-1-benzofuran
CID 154708354
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
5-methyl-2,3,4,5-tetrahydro-1-benzoxepin-3-amine
CID 142226246
(3R,5R)-3-amino-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 13446112

Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The IUPAC name of (3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (CID 119030525) is (3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.
What is the SMILES notation for (3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The canonical SMILES for (3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is Cl.N[C@@H]1COc2ccccc21.
What is the InChIKey of (3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The InChIKey is IVRJMBYBAPVRHB-OGFXRTJISA-N. The full InChI is InChI=1S/C8H9NO.ClH/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-4,7H,5,9H2;1H/t7-;/m1./s1.
What are the key properties of (3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is sourced from PubChem (CID 119030525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).