4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol

C17H23NO2 — CID 43685015

IUPAC4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol
SMILESCc1ccc(C(C)NC(C)CCc2ccc(O)cc2)o1
InChIInChI=1S/C17H23NO2/c1-12(4-6-15-7-9-16(19)10-8-15)18-14(3)17-11-5-13(2)20-17/h5,7-12,14,18-19H,4,6H2,1-3H3
InChIKeyPWBRTQWGBDVFPD-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.97
Rot. Bonds6

About 4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol

4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol (PubChem CID 43685015) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol
PubChem CID43685015
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol
SMILESCc1ccc(C(C)NC(C)CCc2ccc(O)cc2)o1
InChIInChI=1S/C17H23NO2/c1-12(4-6-15-7-9-16(19)10-8-15)18-14(3)17-11-5-13(2)20-17/h5,7-12,14,18-19H,4,6H2,1-3H3
InChIKeyPWBRTQWGBDVFPD-UHFFFAOYSA-N
XLogP3.97
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]pentan-1-ol
CID 97051651
4-[3-(1-aminopropan-2-ylamino)butyl]phenol
CID 103388958
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpropan-2-amine
CID 55150852
4-[3-(1-pyridin-2-ylethylamino)butyl]phenol
CID 43202604
4-[2-(4-phenylbutan-2-ylamino)propyl]phenol
CID 79692143
4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol
CID 119165274
4-[(3S)-3-[[(2S)-6-hydroxy-6-methylheptan-2-yl]amino]butyl]phenol
CID 39817717
4-[3-[[2-hydroxy-1-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 67719171
4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol
CID 119165275
5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid
CID 103246849
4-[3-(pyrrol-1-ylamino)butyl]phenol
CID 79090689
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol?
The IUPAC name of 4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol (CID 43685015) is 4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol?
The canonical SMILES for 4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol is Cc1ccc(C(C)NC(C)CCc2ccc(O)cc2)o1.
What is the InChIKey of 4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol?
The InChIKey is PWBRTQWGBDVFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(4-6-15-7-9-16(19)10-8-15)18-14(3)17-11-5-13(2)20-17/h5,7-12,14,18-19H,4,6H2,1-3H3.
What are the key properties of 4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol?
4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol has a molecular weight of 273.38 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(5-methylfuran-2-yl)ethylamino]butyl]phenol is sourced from PubChem (CID 43685015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).