1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol

C18H25NO2 — CID 17210963

IUPAC1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol
SMILESCCC(C)(C)NCc1ccc(-c2ccc(C(C)O)cc2)o1
InChIInChI=1S/C18H25NO2/c1-5-18(3,4)19-12-16-10-11-17(21-16)15-8-6-14(7-9-15)13(2)20/h6-11,13,19-20H,5,12H2,1-4H3
InChIKeyPAVYUEIIXIAEDC-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.28
Rot. Bonds6

About 1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol

1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol (PubChem CID 17210963) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol
PubChem CID17210963
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol
SMILESCCC(C)(C)NCc1ccc(-c2ccc(C(C)O)cc2)o1
InChIInChI=1S/C18H25NO2/c1-5-18(3,4)19-12-16-10-11-17(21-16)15-8-6-14(7-9-15)13(2)20/h6-11,13,19-20H,5,12H2,1-4H3
InChIKeyPAVYUEIIXIAEDC-UHFFFAOYSA-N
XLogP4.28
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol with MolForge

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Related Compounds

(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725011
1-[4-[5-[[2-(dimethylamino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725000
(1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639511
1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17333543
(1R,2S)-2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8639340
(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol
CID 8639245
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 106328262
2-chloro-5-[[5-[4-(1-hydroxyethyl)phenyl]furan-2-yl]methylamino]benzoic acid
CID 17058489
1-[4-[5-[[(5-aminotetrazol-1-yl)amino]methyl]furan-2-yl]phenyl]ethanol
CID 4727129
(1S)-1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639329

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol?
The IUPAC name of 1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol (CID 17210963) is 1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol?
The canonical SMILES for 1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol is CCC(C)(C)NCc1ccc(-c2ccc(C(C)O)cc2)o1.
What is the InChIKey of 1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol?
The InChIKey is PAVYUEIIXIAEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-5-18(3,4)19-12-16-10-11-17(21-16)15-8-6-14(7-9-15)13(2)20/h6-11,13,19-20H,5,12H2,1-4H3.
What are the key properties of 1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol?
1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol has a molecular weight of 287.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol is sourced from PubChem (CID 17210963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).