N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine

C18H23NO2 — CID 60691668

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine
SMILESCc1cccc(OCCNCc2ccc(C3CC3C)o2)c1
InChIInChI=1S/C18H23NO2/c1-13-4-3-5-15(10-13)20-9-8-19-12-16-6-7-18(21-16)17-11-14(17)2/h3-7,10,14,17,19H,8-9,11-12H2,1-2H3
InChIKeyHSESNSLDAJPEQC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.88
Rot. Bonds7

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine (PubChem CID 60691668) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine
PubChem CID60691668
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine
SMILESCc1cccc(OCCNCc2ccc(C3CC3C)o2)c1
InChIInChI=1S/C18H23NO2/c1-13-4-3-5-15(10-13)20-9-8-19-12-16-6-7-18(21-16)17-11-14(17)2/h3-7,10,14,17,19H,8-9,11-12H2,1-2H3
InChIKeyHSESNSLDAJPEQC-UHFFFAOYSA-N
XLogP3.88
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline
CID 43693687
2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 61069035
4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine
CID 60744499
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]ethyl]acetamide
CID 43182791
1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
CID 43178065
N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
CID 30116573
2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 62659459
2-[2-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]phenoxy]ethanol
CID 111457754
2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 115584728
2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine
CID 39360189
4-methoxy-2,2-dimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 104625246

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine (CID 60691668) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine is Cc1cccc(OCCNCc2ccc(C3CC3C)o2)c1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine?
The InChIKey is HSESNSLDAJPEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-4-3-5-15(10-13)20-9-8-19-12-16-6-7-18(21-16)17-11-14(17)2/h3-7,10,14,17,19H,8-9,11-12H2,1-2H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.88, 7 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]-2-(3-methylphenoxy)ethanamine is sourced from PubChem (CID 60691668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).