2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine

C18H25NO2 — CID 62999781

IUPAC2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(OC)c1)Cc1ccco1
InChIInChI=1S/C18H25NO2/c1-3-9-19-14-16(13-18-8-5-10-21-18)11-15-6-4-7-17(12-15)20-2/h4-8,10,12,16,19H,3,9,11,13-14H2,1-2H3
InChIKeyJHZINKQUDPHJNR-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.69
Rot. Bonds9

About 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine

2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine (PubChem CID 62999781) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine
PubChem CID62999781
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(OC)c1)Cc1ccco1
InChIInChI=1S/C18H25NO2/c1-3-9-19-14-16(13-18-8-5-10-21-18)11-15-6-4-7-17(12-15)20-2/h4-8,10,12,16,19H,3,9,11,13-14H2,1-2H3
InChIKeyJHZINKQUDPHJNR-UHFFFAOYSA-N
XLogP3.69
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.69
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

2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62998676
2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62999421
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propan-1-ol
CID 66058670
2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979384
2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83148145
[1-(furan-2-yl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205240
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propanoic acid
CID 63000304
2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 62998868
2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63521934
[4-(furan-2-yl)-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295310

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine (CID 62999781) is 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine is CCCNCC(Cc1cccc(OC)c1)Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is JHZINKQUDPHJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-9-19-14-16(13-18-8-5-10-21-18)11-15-6-4-7-17(12-15)20-2/h4-8,10,12,16,19H,3,9,11,13-14H2,1-2H3.
What are the key properties of 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine?
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 62999781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).