(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol

C16H22N2O2 — CID 8622014

IUPAC(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
SMILESC[C@@H](O)CNCCNCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C16H22N2O2/c1-13(19)11-17-9-10-18-12-15-7-8-16(20-15)14-5-3-2-4-6-14/h2-8,13,17-19H,9-12H2,1H3/t13-/m1/s1
InChIKeyKHDMUXBLEJQVED-CYBMUJFWSA-N
MW274.36 g/mol
LogP2.01
Rot. Bonds8

About (2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol

(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol (PubChem CID 8622014) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
PubChem CID8622014
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
SMILESC[C@@H](O)CNCCNCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C16H22N2O2/c1-13(19)11-17-9-10-18-12-15-7-8-16(20-15)14-5-3-2-4-6-14/h2-8,13,17-19H,9-12H2,1H3/t13-/m1/s1
InChIKeyKHDMUXBLEJQVED-CYBMUJFWSA-N
XLogP2.01
TPSA57.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.01
H-Bond Donors ≤ 53
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-phenylfuran-2-yl)methyl]propan-1-amine
CID 4725254
N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 171700325
ethyl 4-[5-[[2-(2-hydroxypropylamino)ethylamino]methyl]furan-2-yl]benzoate;dihydrochloride
CID 17331156
2,2-dimethyl-4-[(5-phenylfuran-2-yl)methylamino]butanoic acid
CID 122126799
(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol
CID 8621990
1-[4-[5-[[2-(dimethylamino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725000
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
CID 4723653
methyl 4-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-yl]benzoate
CID 8636670
3-[(5-phenylfuran-2-yl)methylamino]butan-1-ol
CID 111436938
1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17056230
(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol
CID 8639245
2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride
CID 6463695

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol (CID 8622014) is (2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol is C[C@@H](O)CNCCNCc1ccc(-c2ccccc2)o1.
What is the InChIKey of (2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol?
The InChIKey is KHDMUXBLEJQVED-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(19)11-17-9-10-18-12-15-7-8-16(20-15)14-5-3-2-4-6-14/h2-8,13,17-19H,9-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol?
(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol is sourced from PubChem (CID 8622014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).