2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine

C15H19NO3 — CID 112509189

IUPAC2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine
SMILESCOc1ccc(OC)c(C(CN)Cc2ccco2)c1
InChIInChI=1S/C15H19NO3/c1-17-12-5-6-15(18-2)14(9-12)11(10-16)8-13-4-3-7-19-13/h3-7,9,11H,8,10,16H2,1-2H3
InChIKeyFPNQGYWHTVNCDP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.58
Rot. Bonds6

About 2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine

2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine (PubChem CID 112509189) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine
PubChem CID112509189
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine
SMILESCOc1ccc(OC)c(C(CN)Cc2ccco2)c1
InChIInChI=1S/C15H19NO3/c1-17-12-5-6-15(18-2)14(9-12)11(10-16)8-13-4-3-7-19-13/h3-7,9,11H,8,10,16H2,1-2H3
InChIKeyFPNQGYWHTVNCDP-UHFFFAOYSA-N
XLogP2.58
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenyl)-3-(furan-2-yl)propan-1-amine
CID 83974434
2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 112508412
2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine
CID 82141576
2-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105029210
3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)propan-1-amine
CID 82139834
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 27511459
2-(5-fluoro-2-methoxyphenyl)-3-(3-methoxyphenyl)propan-1-amine
CID 82141160
2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975035
2-(furan-2-ylmethyl)-3-(2-methoxyphenyl)propan-1-amine
CID 62999600
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105177265
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
CID 116933051

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine (CID 112509189) is 2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine is COc1ccc(OC)c(C(CN)Cc2ccco2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine?
The InChIKey is FPNQGYWHTVNCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-17-12-5-6-15(18-2)14(9-12)11(10-16)8-13-4-3-7-19-13/h3-7,9,11H,8,10,16H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine?
2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 112509189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).