N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride

C17H23Cl3N2O2 — CID 6473098

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCl.Cl.Clc1ccccc1-c1ccc(CNCCN2CCOCC2)o1
InChIInChI=1S/C17H21ClN2O2.2ClH/c18-16-4-2-1-3-15(16)17-6-5-14(22-17)13-19-7-8-20-9-11-21-12-10-20;;/h1-6,19H,7-13H2;2*1H
InChIKeyIKDHGBYRGXUVGP-UHFFFAOYSA-N
MW393.74 g/mol
LogP3.87
Rot. Bonds6

About N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride (PubChem CID 6473098) has the molecular formula C17H23Cl3N2O2 and a molecular weight of 393.74 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
PubChem CID6473098
Molecular FormulaC17H23Cl3N2O2
Molecular Weight393.74 g/mol
Exact Mass392.08
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCl.Cl.Clc1ccccc1-c1ccc(CNCCN2CCOCC2)o1
InChIInChI=1S/C17H21ClN2O2.2ClH/c18-16-4-2-1-3-15(16)17-6-5-14(22-17)13-19-7-8-20-9-11-21-12-10-20;;/h1-6,19H,7-13H2;2*1H
InChIKeyIKDHGBYRGXUVGP-UHFFFAOYSA-N
XLogP3.87
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.74
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 4723728
1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
CID 110929359
3-morpholin-4-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine;dihydrochloride
CID 6456966
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471769
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17056556
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 119107685
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]-4-morpholin-4-ylbutan-1-amine
CID 119108081
3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 102536585
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 17210309
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride
CID 17333534
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride (CID 6473098) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride is Cl.Cl.Clc1ccccc1-c1ccc(CNCCN2CCOCC2)o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The InChIKey is IKDHGBYRGXUVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2.2ClH/c18-16-4-2-1-3-15(16)17-6-5-14(22-17)13-19-7-8-20-9-11-21-12-10-20;;/h1-6,19H,7-13H2;2*1H.
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride has a molecular weight of 393.74 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride is sourced from PubChem (CID 6473098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).