1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine

C17H23NO3 — CID 81391321

IUPAC1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccco1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H23NO3/c1-5-14(18-12(2)15-7-6-10-21-15)13-8-9-16(19-3)17(11-13)20-4/h6-12,14,18H,5H2,1-4H3/t12-,14?/m0/s1
InChIKeyWPCHQJLSLODATN-NBFOIZRFSA-N
MW289.38 g/mol
LogP4.10
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine

1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 81391321) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
PubChem CID81391321
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccco1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H23NO3/c1-5-14(18-12(2)15-7-6-10-21-15)13-8-9-16(19-3)17(11-13)20-4/h6-12,14,18H,5H2,1-4H3/t12-,14?/m0/s1
InChIKeyWPCHQJLSLODATN-NBFOIZRFSA-N
XLogP4.10
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43200433
1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403395
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81399477
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 83175883
[1-(3,4-dimethoxyphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105192204
1-(3,4-dimethoxyphenyl)-2,2-bis(furan-2-yl)ethanol
CID 102517509
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
CID 62631959
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81402863
(1S)-N-[1-(furan-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81376667

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine (CID 81391321) is 1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine is CCC(N[C@@H](C)c1ccco1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is WPCHQJLSLODATN-NBFOIZRFSA-N. The full InChI is InChI=1S/C17H23NO3/c1-5-14(18-12(2)15-7-6-10-21-15)13-8-9-16(19-3)17(11-13)20-4/h6-12,14,18H,5H2,1-4H3/t12-,14?/m0/s1.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine?
1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81391321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).