1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine

C18H23NO2 — CID 62050449

IUPAC1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(C3CC3C)o2)cc1
InChIInChI=1S/C18H23NO2/c1-12-10-17(12)18-9-8-16(21-18)11-19-13(2)14-4-6-15(20-3)7-5-14/h4-9,12-13,17,19H,10-11H2,1-3H3
InChIKeyCFBWJVFBFQHOMQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.26
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine

1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine (PubChem CID 62050449) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
PubChem CID62050449
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ccc(C3CC3C)o2)cc1
InChIInChI=1S/C18H23NO2/c1-12-10-17(12)18-9-8-16(21-18)11-19-13(2)14-4-6-15(20-3)7-5-14/h4-9,12-13,17,19H,10-11H2,1-3H3
InChIKeyCFBWJVFBFQHOMQ-UHFFFAOYSA-N
XLogP4.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43180811
(1R)-1-(4-bromophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81353783
1-(3,4-dichlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 43079068
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43230736
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371270
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 104865108
methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
CID 60780737
(1S)-1-(4-methoxyphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81370186
(1R)-1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 81377243
methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate
CID 54917626
methyl 5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367481
(1S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-pyridin-2-ylethanamine
CID 78978055

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine (CID 62050449) is 1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine is COc1ccc(C(C)NCc2ccc(C3CC3C)o2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
The InChIKey is CFBWJVFBFQHOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-10-17(12)18-9-8-16(21-18)11-19-13(2)14-4-6-15(20-3)7-5-14/h4-9,12-13,17,19H,10-11H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine?
1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62050449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).