N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine

C21H22N2O — CID 42919824

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
SMILESCC1CC1c1ccc(CNC(c2ccccc2)c2ccccn2)o1
InChIInChI=1S/C21H22N2O/c1-15-13-18(15)20-11-10-17(24-20)14-23-21(16-7-3-2-4-8-16)19-9-5-6-12-22-19/h2-12,15,18,21,23H,13-14H2,1H3
InChIKeyJMZMXPXOOCUCRF-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.68
Rot. Bonds6

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine (PubChem CID 42919824) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
PubChem CID42919824
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
SMILESCC1CC1c1ccc(CNC(c2ccccc2)c2ccccn2)o1
InChIInChI=1S/C21H22N2O/c1-15-13-18(15)20-11-10-17(24-20)14-23-21(16-7-3-2-4-8-16)19-9-5-6-12-22-19/h2-12,15,18,21,23H,13-14H2,1H3
InChIKeyJMZMXPXOOCUCRF-UHFFFAOYSA-N
XLogP4.68
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine
CID 78978055
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylethanol
CID 63182317
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid
CID 62109475
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
CID 78998178
N-[(2,2-dimethylcyclopropyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949198
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43180811
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-4-methylsulfanylbutan-2-amine
CID 115640014
(1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81353783
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
N-[(1-methylcyclobutyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949345

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine (CID 42919824) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine is CC1CC1c1ccc(CNC(c2ccccc2)c2ccccn2)o1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The InChIKey is JMZMXPXOOCUCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-13-18(15)20-11-10-17(24-20)14-23-21(16-7-3-2-4-8-16)19-9-5-6-12-22-19/h2-12,15,18,21,23H,13-14H2,1H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine has a molecular weight of 318.42 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 42919824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).