(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol

C16H20FNO2 — CID 79253494

IUPAC(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H20FNO2/c1-11(2)15(10-19)18-9-14-7-8-16(20-14)12-3-5-13(17)6-4-12/h3-8,11,15,18-19H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyVNNUWBXPMHTRDN-OAHLLOKOSA-N
MW277.34 g/mol
LogP3.19
Rot. Bonds6

About (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol

(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol (PubChem CID 79253494) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol
PubChem CID79253494
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H20FNO2/c1-11(2)15(10-19)18-9-14-7-8-16(20-14)12-3-5-13(17)6-4-12/h3-8,11,15,18-19H,9-10H2,1-2H3/t15-/m1/s1
InChIKeyVNNUWBXPMHTRDN-OAHLLOKOSA-N
XLogP3.19
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-5-methylhexan-2-amine
CID 43080703
methyl (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]propanoate
CID 43723505
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-1-yn-3-amine
CID 106225214
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(1-methyltriazol-4-yl)ethanamine
CID 167910575
3-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-2-methylpropanenitrile
CID 62648146
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine
CID 55738362
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 106328262
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylbut-2-en-1-amine
CID 106180699
(2S)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79254600
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 4723603
2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol
CID 110905965

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol (CID 79253494) is (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)NCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol?
The InChIKey is VNNUWBXPMHTRDN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-11(2)15(10-19)18-9-14-7-8-16(20-14)12-3-5-13(17)6-4-12/h3-8,11,15,18-19H,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol?
(2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol has a molecular weight of 277.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(4-fluorophenyl)furan-2-yl]methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 79253494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).