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

C15H17NO2 — CID 43206950

IUPAC3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
SMILESCC1CC1c1ccc(CNc2cccc(O)c2)o1
InChIInChI=1S/C15H17NO2/c1-10-7-14(10)15-6-5-13(18-15)9-16-11-3-2-4-12(17)8-11/h2-6,8,10,14,16-17H,7,9H2,1H3
InChIKeyINLPDNXKYJYKMC-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.72
Rot. Bonds4

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

3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol (PubChem CID 43206950) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol.

Molecular Properties

Compound Name3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
PubChem CID43206950
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
SMILESCC1CC1c1ccc(CNc2cccc(O)c2)o1
InChIInChI=1S/C15H17NO2/c1-10-7-14(10)15-6-5-13(18-15)9-16-11-3-2-4-12(17)8-11/h2-6,8,10,14,16-17H,7,9H2,1H3
InChIKeyINLPDNXKYJYKMC-UHFFFAOYSA-N
XLogP3.72
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol?
The IUPAC name of 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol (CID 43206950) is 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol.
What is the SMILES notation for 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol?
The canonical SMILES for 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol is CC1CC1c1ccc(CNc2cccc(O)c2)o1.
What is the InChIKey of 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol?
The InChIKey is INLPDNXKYJYKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-7-14(10)15-6-5-13(18-15)9-16-11-3-2-4-12(17)8-11/h2-6,8,10,14,16-17H,7,9H2,1H3.
What are the key properties of 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol?
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol has a molecular weight of 243.31 g/mol, XLogP of 3.72, 4 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]phenol is sourced from PubChem (CID 43206950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).