(5-phenoxyfuran-2-yl)methanamine;hydrochloride

C11H12ClNO2 — CID 82021880

IUPAC(5-phenoxyfuran-2-yl)methanamine;hydrochloride
SMILESCl.NCc1ccc(Oc2ccccc2)o1
InChIInChI=1S/C11H11NO2.ClH/c12-8-10-6-7-11(14-10)13-9-4-2-1-3-5-9;/h1-7H,8,12H2;1H
InChIKeyWMMOMUPTVGJFKJ-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.95
Rot. Bonds3

About (5-phenoxyfuran-2-yl)methanamine;hydrochloride

(5-phenoxyfuran-2-yl)methanamine;hydrochloride (PubChem CID 82021880) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is (5-phenoxyfuran-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-phenoxyfuran-2-yl)methanamine;hydrochloride
PubChem CID82021880
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name(5-phenoxyfuran-2-yl)methanamine;hydrochloride
SMILESCl.NCc1ccc(Oc2ccccc2)o1
InChIInChI=1S/C11H11NO2.ClH/c12-8-10-6-7-11(14-10)13-9-4-2-1-3-5-9;/h1-7H,8,12H2;1H
InChIKeyWMMOMUPTVGJFKJ-UHFFFAOYSA-N
XLogP2.95
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-naphthalen-1-yloxyfuran-2-yl)methanamine;hydrochloride
CID 82021899
[5-(2-methoxyphenoxy)furan-2-yl]methanamine
CID 28815260
3-[[(5-phenoxyfuran-2-yl)methylamino]methyl]thiolan-3-ol
CID 75518592
N-[[5-(aminomethyl)furan-2-yl]methyl]aniline
CID 23130500
1-methoxy-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol
CID 110019088
2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine
CID 126460371
1-(dimethylamino)-2-methyl-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol
CID 110019143
(3S,4S)-1-[(5-phenoxyfuran-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122045627
1-[(5-phenoxyfuran-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 122041202
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-phenoxyfuran-2-carboxamide
CID 70658082
2-[2-acetamidoethyl-[(5-phenoxyfuran-2-yl)methyl]amino]propanoic acid
CID 122039391
iron;phenoxybenzene
CID 174434720

Frequently Asked Questions

What is the IUPAC name of (5-phenoxyfuran-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-phenoxyfuran-2-yl)methanamine;hydrochloride (CID 82021880) is (5-phenoxyfuran-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-phenoxyfuran-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-phenoxyfuran-2-yl)methanamine;hydrochloride is Cl.NCc1ccc(Oc2ccccc2)o1.
What is the InChIKey of (5-phenoxyfuran-2-yl)methanamine;hydrochloride?
The InChIKey is WMMOMUPTVGJFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.ClH/c12-8-10-6-7-11(14-10)13-9-4-2-1-3-5-9;/h1-7H,8,12H2;1H.
What are the key properties of (5-phenoxyfuran-2-yl)methanamine;hydrochloride?
(5-phenoxyfuran-2-yl)methanamine;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenoxyfuran-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 82021880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).