4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol

C14H17NO2 — CID 43432836

IUPAC4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
SMILESCC(Cc1ccco1)NCc1ccc(O)cc1
InChIInChI=1S/C14H17NO2/c1-11(9-14-3-2-8-17-14)15-10-12-4-6-13(16)7-5-12/h2-8,11,15-16H,9-10H2,1H3
InChIKeyWEHGIOVRPCPJJJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.71
Rot. Bonds5

About 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol

4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol (PubChem CID 43432836) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
PubChem CID43432836
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
SMILESCC(Cc1ccco1)NCc1ccc(O)cc1
InChIInChI=1S/C14H17NO2/c1-11(9-14-3-2-8-17-14)15-10-12-4-6-13(16)7-5-12/h2-8,11,15-16H,9-10H2,1H3
InChIKeyWEHGIOVRPCPJJJ-UHFFFAOYSA-N
XLogP2.71
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43783131
5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol
CID 43432891
N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432860
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
1-(furan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 66398533
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 66416684
2-fluoro-5-[[1-(furan-2-yl)propan-2-ylamino]methyl]benzonitrile
CID 107880104
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 113454136

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol?
The IUPAC name of 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol (CID 43432836) is 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol.
What is the SMILES notation for 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol?
The canonical SMILES for 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol is CC(Cc1ccco1)NCc1ccc(O)cc1.
What is the InChIKey of 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol?
The InChIKey is WEHGIOVRPCPJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(9-14-3-2-8-17-14)15-10-12-4-6-13(16)7-5-12/h2-8,11,15-16H,9-10H2,1H3.
What are the key properties of 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol?
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol has a molecular weight of 231.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol is sourced from PubChem (CID 43432836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).