(1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol

C15H19NO2 — CID 112742110

IUPAC(1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol
SMILESCc1ccc(CNCC[C@@H](O)c2ccccc2)o1
InChIInChI=1S/C15H19NO2/c1-12-7-8-14(18-12)11-16-10-9-15(17)13-5-3-2-4-6-13/h2-8,15-17H,9-11H2,1H3/t15-/m1/s1
InChIKeyGACLZBQDNLSZCG-OAHLLOKOSA-N
MW245.32 g/mol
LogP2.80
Rot. Bonds6

About (1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol

(1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol (PubChem CID 112742110) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol
PubChem CID112742110
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol
SMILESCc1ccc(CNCC[C@@H](O)c2ccccc2)o1
InChIInChI=1S/C15H19NO2/c1-12-7-8-14(18-12)11-16-10-9-15(17)13-5-3-2-4-6-13/h2-8,15-17H,9-11H2,1H3/t15-/m1/s1
InChIKeyGACLZBQDNLSZCG-OAHLLOKOSA-N
XLogP2.80
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-phenylpropan-1-ol
CID 62611936
2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118617
1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 60761067
4-[(5-methylfuran-2-yl)methylamino]-4-phenylbutan-1-ol
CID 111449854
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol
CID 12951841
1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 78954234
(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 94281330
(2R)-2-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 55081694
(1R)-1-phenyl-3-(2-phenylethylamino)propan-1-ol
CID 94271411
(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine
CID 63655471

Frequently Asked Questions

What is the IUPAC name of (1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol (CID 112742110) is (1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol is Cc1ccc(CNCC[C@@H](O)c2ccccc2)o1.
What is the InChIKey of (1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol?
The InChIKey is GACLZBQDNLSZCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12-7-8-14(18-12)11-16-10-9-15(17)13-5-3-2-4-6-13/h2-8,15-17H,9-11H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol?
(1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[(5-methylfuran-2-yl)methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 112742110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).