N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine

C16H19NO — CID 43177503

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
SMILESCC1CC1c1ccc(CNCc2ccccc2)o1
InChIInChI=1S/C16H19NO/c1-12-9-15(12)16-8-7-14(18-16)11-17-10-13-5-3-2-4-6-13/h2-8,12,15,17H,9-11H2,1H3
InChIKeyLNNCGKDOQXMEIR-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.69
Rot. Bonds5

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine (PubChem CID 43177503) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
PubChem CID43177503
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
SMILESCC1CC1c1ccc(CNCc2ccccc2)o1
InChIInChI=1S/C16H19NO/c1-12-9-15(12)16-8-7-14(18-16)11-17-10-13-5-3-2-4-6-13/h2-8,12,15,17H,9-11H2,1H3
InChIKeyLNNCGKDOQXMEIR-UHFFFAOYSA-N
XLogP3.69
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine (CID 43177503) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine is CC1CC1c1ccc(CNCc2ccccc2)o1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine?
The InChIKey is LNNCGKDOQXMEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-9-15(12)16-8-7-14(18-16)11-17-10-13-5-3-2-4-6-13/h2-8,12,15,17H,9-11H2,1H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 43177503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).