2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine

C18H22FNO2 — CID 86960006

IUPAC2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine
SMILESCc1cc(F)ccc1-c1ccc(CNCCOCC2CC2)o1
InChIInChI=1S/C18H22FNO2/c1-13-10-15(19)4-6-17(13)18-7-5-16(22-18)11-20-8-9-21-12-14-2-3-14/h4-7,10,14,20H,2-3,8-9,11-12H2,1H3
InChIKeyXIPRDXQAQGXBLZ-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.91
Rot. Bonds8

About 2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine

2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 86960006) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine
PubChem CID86960006
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine
SMILESCc1cc(F)ccc1-c1ccc(CNCCOCC2CC2)o1
InChIInChI=1S/C18H22FNO2/c1-13-10-15(19)4-6-17(13)18-7-5-16(22-18)11-20-8-9-21-12-14-2-3-14/h4-7,10,14,20H,2-3,8-9,11-12H2,1H3
InChIKeyXIPRDXQAQGXBLZ-UHFFFAOYSA-N
XLogP3.91
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.91
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-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol
CID 111448827
1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol
CID 119134619
2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103653259
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine
CID 17056480
[2-[[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]methyl]phenyl]methanol
CID 111382379
N-[[5-(aminomethyl)furan-2-yl]methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 114098872
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)ethanamine
CID 62599394
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-4-methylsulfinylaniline
CID 119033407
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 43624793
2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol
CID 103948001
N'-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 17056478

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine (CID 86960006) is 2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine is Cc1cc(F)ccc1-c1ccc(CNCCOCC2CC2)o1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is XIPRDXQAQGXBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-13-10-15(19)4-6-17(13)18-7-5-16(22-18)11-20-8-9-21-12-14-2-3-14/h4-7,10,14,20H,2-3,8-9,11-12H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine?
2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 303.38 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 86960006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).