1-dibenzofuran-2-ylethanamine;hydrochloride

C14H14ClNO — CID 13012128

IUPAC1-dibenzofuran-2-ylethanamine;hydrochloride
SMILESCC(N)c1ccc2oc3ccccc3c2c1.Cl
InChIInChI=1S/C14H13NO.ClH/c1-9(15)10-6-7-14-12(8-10)11-4-2-3-5-13(11)16-14;/h2-9H,15H2,1H3;1H
InChIKeyLXYCTXYIRSPSQM-UHFFFAOYSA-N
MW247.73 g/mol
LogP4.03
Rot. Bonds1

About 1-dibenzofuran-2-ylethanamine;hydrochloride

1-dibenzofuran-2-ylethanamine;hydrochloride (PubChem CID 13012128) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-dibenzofuran-2-ylethanamine;hydrochloride.

Molecular Properties

Compound Name1-dibenzofuran-2-ylethanamine;hydrochloride
PubChem CID13012128
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name1-dibenzofuran-2-ylethanamine;hydrochloride
SMILESCC(N)c1ccc2oc3ccccc3c2c1.Cl
InChIInChI=1S/C14H13NO.ClH/c1-9(15)10-6-7-14-12(8-10)11-4-2-3-5-13(11)16-14;/h2-9H,15H2,1H3;1H
InChIKeyLXYCTXYIRSPSQM-UHFFFAOYSA-N
XLogP4.03
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-dibenzofuran-2-ylethanol
CID 82758937
2-[(1S)-1-chloroethyl]dibenzofuran
CID 129370090
1-dibenzofuran-2-yl-3-methylbutan-1-amine
CID 43100935
N-(1-dibenzofuran-2-ylethyl)hydroxylamine
CID 14234879
2-dibenzofuran-2-yl-N-methylpropanamide
CID 163614988
1-dibenzofuran-2-ylpropan-2-amine
CID 42647881
1-dibenzofuran-2-yl-2-methylpentan-1-ol
CID 63426339
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
(S)-N-[(1R)-1-dibenzofuran-2-ylethyl]-2-methylpropane-2-sulfinamide
CID 176891324
2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran
CID 143903536
2-(1-bromo-3,3-dimethylbutyl)dibenzofuran
CID 63437674
1-dibenzofuran-2-ylprop-2-en-1-ol
CID 171366955

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-ylethanamine;hydrochloride?
The IUPAC name of 1-dibenzofuran-2-ylethanamine;hydrochloride (CID 13012128) is 1-dibenzofuran-2-ylethanamine;hydrochloride.
What is the SMILES notation for 1-dibenzofuran-2-ylethanamine;hydrochloride?
The canonical SMILES for 1-dibenzofuran-2-ylethanamine;hydrochloride is CC(N)c1ccc2oc3ccccc3c2c1.Cl.
What is the InChIKey of 1-dibenzofuran-2-ylethanamine;hydrochloride?
The InChIKey is LXYCTXYIRSPSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.ClH/c1-9(15)10-6-7-14-12(8-10)11-4-2-3-5-13(11)16-14;/h2-9H,15H2,1H3;1H.
What are the key properties of 1-dibenzofuran-2-ylethanamine;hydrochloride?
1-dibenzofuran-2-ylethanamine;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-ylethanamine;hydrochloride is sourced from PubChem (CID 13012128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).