[3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol

C16H19NO2 — CID 43715050

IUPAC[3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol
SMILESCC1CC1c1ccc(CNc2cccc(CO)c2)o1
InChIInChI=1S/C16H19NO2/c1-11-7-15(11)16-6-5-14(19-16)9-17-13-4-2-3-12(8-13)10-18/h2-6,8,11,15,17-18H,7,9-10H2,1H3
InChIKeyMXFYKBSDYOEIRK-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.51
Rot. Bonds5

About [3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol

[3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol (PubChem CID 43715050) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol
PubChem CID43715050
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol
SMILESCC1CC1c1ccc(CNc2cccc(CO)c2)o1
InChIInChI=1S/C16H19NO2/c1-11-7-15(11)16-6-5-14(19-16)9-17-13-4-2-3-12(8-13)10-18/h2-6,8,11,15,17-18H,7,9-10H2,1H3
InChIKeyMXFYKBSDYOEIRK-UHFFFAOYSA-N
XLogP3.51
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43194576
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline
CID 43693687
3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43107978
[3-[(2-methylcyclopropyl)methylamino]phenyl]methanol
CID 130874904
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193593
2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 65468961
5-[[3-(hydroxymethyl)anilino]methyl]furan-2-carboxylic acid
CID 63316697
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732667
4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzonitrile
CID 43195287
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol?
The IUPAC name of [3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol (CID 43715050) is [3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol.
What is the SMILES notation for [3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol?
The canonical SMILES for [3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol is CC1CC1c1ccc(CNc2cccc(CO)c2)o1.
What is the InChIKey of [3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol?
The InChIKey is MXFYKBSDYOEIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-7-15(11)16-6-5-14(19-16)9-17-13-4-2-3-12(8-13)10-18/h2-6,8,11,15,17-18H,7,9-10H2,1H3.
What are the key properties of [3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol?
[3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol has a molecular weight of 257.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenyl]methanol is sourced from PubChem (CID 43715050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).